8013-4329 Screening compound: 3-amino-N~2~,N~2~-diphenyl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

8013-4329 Screening compound: 3-amino-N~2~,N~2~-diphenyl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
8013-4329 Screening compound: 3-amino-N~2~,N~2~-diphenyl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4329
3-amino-N~2~,N~2~-diphenyl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8013-4329

Molecular Formula

C23H19N3OS (C23 H19 N3 OS)

Compound Name

3-amino-N~2~,N~2~-diphenyl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-NN-diphenyl-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-13(7)58-tetraene-5-carboxamide

SMILES

Nc1c(C(N(c2ccccc2)c2ccccc2)=O)sc2nc(CCC3)c3cc12

InChI

InChI=1S/C23H19N3OS/c24-20-18-14-15-8-7-13-19(15)25-22(18)28-21(20)23(27)26(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,14H,7-8,13,24H2

InChI Key

MZMWFAUTSVBEBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02953078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.98

Polar Surface Area

46.003

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

8013-4329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-4329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4329?
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What is the minimum amount of 8013-4329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4329
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8013-4329 available by request