C614-6401 Screening compound: N-(4-bromophenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

C614-6401 Screening compound: N-(4-bromophenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide
C614-6401 Screening compound: N-(4-bromophenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6401
N-(4-bromophenyl)-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

C614-6401

Molecular Formula

C20H17BrN4OS (C20 H17 BrN4 OS)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[45-b]pyridin-2-yl}propanamide

SMILES

O=C(CCc(n1Cc2cccs2)nc2c1nccc2)Nc(cc1)ccc1Br

InChI

InChI=1S/C20H17BrN4OS/c21-14-5-7-15(8-6-14)23-19(26)10-9-18-24-17-4-1-11-22-20(17)25(18)13-16-3-2-12-27-16/h1-8,11-12H,9-10,13H2,(H,23,26)

InChI Key

DKWVNOFRPKQUHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.37

Polar Surface Area

44.946

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C614-6401 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C614-6401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6401?
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What is the minimum amount of C614-6401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6401
  • 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 C614-6401 available by request