C614-0920 Screening compound: N-[4-(cyanomethyl)phenyl]-3-{3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide

C614-0920 Screening compound: N-[4-(cyanomethyl)phenyl]-3-{3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide
C614-0920 Screening compound: N-[4-(cyanomethyl)phenyl]-3-{3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0920
N-[4-(cyanomethyl)phenyl]-3-{3-[(4-methoxyphenyl)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

C614-0920

Molecular Formula

C25H23N5O2 (C25 H23 N5 O2)

Compound Name

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

IUPAC name

N-[4-(cyanomethyl)phenyl]-3-{3-[(4-methoxyphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}propanamide

SMILES

COc1ccc(Cn2c(nccc3)c3nc2CCC(Nc2ccc(CC#N)cc2)=O)cc1

InChI

InChI=1S/C25H23N5O2/c1-32-21-10-6-19(7-11-21)17-30-23(29-22-3-2-16-27-25(22)30)12-13-24(31)28-20-8-4-18(5-9-20)14-15-26/h2-11,16H,12-14,17H2,1H3,(H,28,31)

InChI Key

DCCOTQBSMQHMLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

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

3.036

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.39

Polar Surface Area

68.963

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C614-0920 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C614-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0920?
Check Price and Availability of C614-0920, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C614-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0920
  • 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 C614-0920 available by request