G831-0242 Screening compound: N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)thiophene-2-carboxamide

G831-0242 Screening compound: N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)thiophene-2-carboxamide
G831-0242 Screening compound: N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G831-0242
N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}methyl)thiophene-2-carboxamide

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

G831-0242

Molecular Formula

C20H18N4O2S (C20 H18 N4 O2 S)

Compound Name

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

IUPAC name

N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}methyl)thiophene-2-carboxamide

SMILES

COc1cccc(Cn2c(nccc3)c3nc2CNC(c2cccs2)=O)c1

InChI

InChI=1S/C20H18N4O2S/c1-26-15-6-2-5-14(11-15)13-24-18(23-16-7-3-9-21-19(16)24)12-22-20(25)17-8-4-10-27-17/h2-11H,12-13H2,1H3,(H,22,25)

InChI Key

PMODPEMLZFZJQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.50

Polar Surface Area

54.025

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G831-0242 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G831-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G831-0242?
Check Price and Availability of G831-0242, 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 G831-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G831-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G831-0242
  • 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 G831-0242 available by request