C878-0970 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide

C878-0970 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide
C878-0970 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0970
4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide

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

C878-0970

Molecular Formula

C26H26N4OS (C26 H26 N4 OS)

Compound Name

4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide

IUPAC name

4-[({3-benzyl-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc2ccccc2)cc1)NC1CCCC1

InChI

InChI=1S/C26H26N4OS/c31-25(28-22-8-4-5-9-22)21-12-10-20(11-13-21)18-32-26-29-23-14-15-27-16-24(23)30(26)17-19-6-2-1-3-7-19/h1-3,6-7,10-16,22H,4-5,8-9,17-18H2,(H,28,31)

InChI Key

VDZWSWIBOWFVQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.69

Polar Surface Area

44.500

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C878-0970 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C878-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0970?
Check Price and Availability of C878-0970, 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 C878-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0970
  • 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 C878-0970 available by request