C614-6135 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

C614-6135 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamide
C614-6135 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6135
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-phenyl-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

C614-6135

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-{3-phenyl-3H-imidazo[45-b]pyridin-2-yl}propanamide

SMILES

O=C(CCc(n1-c2ccccc2)nc2c1nccc2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H20N4O3/c28-22(25-14-16-8-9-19-20(13-16)30-15-29-19)11-10-21-26-18-7-4-12-24-23(18)27(21)17-5-2-1-3-6-17/h1-9,12-13H,10-11,14-15H2,(H,25,28)

InChI Key

HLCUQNUBUJCOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.23

Polar Surface Area

63.109

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C614-6135 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 C614-6135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6135?
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What is the minimum amount of C614-6135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6135
  • 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 C614-6135 available by request