C614-6461 Screening compound: N-(3-ethylphenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

C614-6461 Screening compound: N-(3-ethylphenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide
C614-6461 Screening compound: N-(3-ethylphenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6461
N-(3-ethylphenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

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

C614-6461

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

N-(3-ethylphenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

IUPAC name

N-(3-ethylphenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[45-b]pyridin-2-yl}propanamide

SMILES

CCc1cccc(NC(CCc2nc3cccnc3n2Cc2cccs2)=O)c1

InChI

InChI=1S/C22H22N4OS/c1-2-16-6-3-7-17(14-16)24-21(27)11-10-20-25-19-9-4-12-23-22(19)26(20)15-18-8-5-13-28-18/h3-9,12-14H,2,10-11,15H2,1H3,(H,24,27)

InChI Key

PDCCSMOGTHMOQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.20

Polar Surface Area

44.946

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C614-6461 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C614-6461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6461?
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What is the minimum amount of C614-6461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6461
  • 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 C614-6461 available by request