8014-8948 Screening compound: methyl 4-({3H-imidazo[4,5-b]pyridine-2-sulfonyl}methyl)benzoate

8014-8948 Screening compound: methyl 4-({3H-imidazo[4,5-b]pyridine-2-sulfonyl}methyl)benzoate
8014-8948 Screening compound: methyl 4-({3H-imidazo[4,5-b]pyridine-2-sulfonyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8948
methyl 4-({3H-imidazo[4,5-b]pyridine-2-sulfonyl}methyl)benzoate

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

8014-8948

Molecular Formula

C15H13N3O4S (C15 H13 N3 O4 S)

Compound Name

methyl 4-({3H-imidazo[4,5-b]pyridine-2-sulfonyl}methyl)benzoate

IUPAC name

methyl 4-({3H-imidazo[45-b]pyridine-2-sulfonyl}methyl)benzoate

SMILES

COC(c1ccc(CS(c([nH]2)nc3c2nccc3)(=O)=O)cc1)=O

InChI

InChI=1S/C15H13N3O4S/c1-22-14(19)11-6-4-10(5-7-11)9-23(20,21)15-17-12-3-2-8-16-13(12)18-15/h2-8H,9H2,1H3,(H,16,17,18)

InChI Key

JKNAXIBJUFAAAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.270

Distribution Coefficient, logD

-0.044

Water Solubility, LogSw

-2.26

Polar Surface Area

79.392

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8014-8948 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8014-8948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8948?
Check Price and Availability of 8014-8948, 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 8014-8948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8948
  • 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 8014-8948 available by request