ChemSpider 2D Image | NVP-BEP800 | C21H23Cl2N5O2S


  • Molecular FormulaC21H23Cl2N5O2S
  • Average mass480.411 Da
  • Monoisotopic mass479.094940 Da
  • ChemSpider ID24629112

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-4-{2,4-dichlor-5-[2-(1-pyrrolidinyl)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
2-Amino-4-{2,4-dichloro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
2-Amino-4-{2,4-dichloro-5-[2-(1-pyrrolidinyl)éthoxy]phényl}-N-éthylthiéno[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
847559-80-2 [RN]
Thieno[2,3-d]pyrimidine-6-carboxamide, 2-amino-4-[2,4-dichloro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-N-ethyl- [ACD/Index Name]
[847559-80-2] [RN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      HSP inhibitor TargetMol T2114
    • Bio Activity:

      Cell Cycle/Checkpoint TargetMol T2114
      Cell Cycle/DNA Damage MedChem Express HY-10942
      Cell Cycle/DNA Damage; Metabolism/Protease; MedChem Express HY-10942
      HSP MedChem Express HY-10942
      HSP90?? TargetMol T2114
      NVP-BEP800(VER82576) is a novel, fully synthetic, oral Hsp90 inhibitor with an IC50 of 0.058 ? 0.006 ?M.; ; IC50 Value: 58 nM; Target: HSP90; in vitro: NVP-BEP800 is an ATP-competitive inhibitor of Hsp90? with an IC50 of 58 nM, exhibiting >70-fold selectivity against Hsp90 family members Grp94 and Trap-1 with IC50 values of 4.1 ?M and 5.5 ?M, respectively. MedChem Express HY-10942

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 126.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.56
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 4.72
ACD/KOC (pH 7.4): 28.75
Polar Surface Area: 122 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 344.1±3.0 cm3

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