C614-6449 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

C614-6449 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide
C614-6449 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6449
N-[(2,5-dimethoxyphenyl)methyl]-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

C614-6449

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

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

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-3-{3-[(thiophen-2-yl)methyl]-3H-imidazo[45-b]pyridin-2-yl}propanamide

SMILES

COc(cc1)cc(CNC(CCc2nc3cccnc3n2Cc2cccs2)=O)c1OC

InChI

InChI=1S/C23H24N4O3S/c1-29-17-7-8-20(30-2)16(13-17)14-25-22(28)10-9-21-26-19-6-3-11-24-23(19)27(21)15-18-5-4-12-31-18/h3-8,11-13H,9-10,14-15H2,1-2H3,(H,25,28)

InChI Key

LONCFCBECIOVIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.56

Polar Surface Area

61.442

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C614-6449 in Drug Discovery

Included in Screening Libraries

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

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 C614-6449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6449?
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What is the minimum amount of C614-6449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6449
  • 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 C614-6449 available by request