3892-0042 Screening compound: 3-amino-N~2~-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

3892-0042 Screening compound: 3-amino-N~2~-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
3892-0042 Screening compound: 3-amino-N~2~-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3892-0042
3-amino-N~2~-(4-chlorophenyl)-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

3892-0042

Molecular Formula

C17H14ClN3OS (C17 H14 ClN3 OS)

Compound Name

3-amino-N~2~-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

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

SMILES

Nc1c(C(Nc(cc2)ccc2Cl)=O)sc2c1cc(CCC1)c1n2

InChI

InChI=1S/C17H14ClN3OS/c18-10-4-6-11(7-5-10)20-16(22)15-14(19)12-8-9-2-1-3-13(9)21-17(12)23-15/h4-8H,1-3,19H2,(H,20,22)

InChI Key

QLFWCDZTXCULHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02028964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.61

Polar Surface Area

54.224

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3892-0042 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3892-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3892-0042?
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What is the minimum amount of 3892-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3892-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3892-0042
  • 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 3892-0042 available by request