C614-6521 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

C614-6521 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide
C614-6521 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6521
N-[4-(diethylamino)-2-methylphenyl]-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

C614-6521

Molecular Formula

C25H29N5OS (C25 H29 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CCc1nc2cccnc2n1Cc1cccs1)=O

InChI

InChI=1S/C25H29N5OS/c1-4-29(5-2)19-10-11-21(18(3)16-19)28-24(31)13-12-23-27-22-9-6-14-26-25(22)30(23)17-20-8-7-15-32-20/h6-11,14-16H,4-5,12-13,17H2,1-3H3,(H,28,31)

InChI Key

JBCCCCMHQPTRDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777049

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.192

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.11

Polar Surface Area

46.984

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C614-6521 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C614-6521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6521?
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What is the minimum amount of C614-6521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6521
  • 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 C614-6521 available by request