C878-0399 Screening compound: N-cyclopentyl-4-({[3-(4-methoxybenzyl)-3H-imidazo[4,5-c]pyridin-2-yl]sulfanyl}methyl)benzamide

C878-0399 Screening compound: N-cyclopentyl-4-({[3-(4-methoxybenzyl)-3H-imidazo[4,5-c]pyridin-2-yl]sulfanyl}methyl)benzamide
C878-0399 Screening compound: N-cyclopentyl-4-({[3-(4-methoxybenzyl)-3H-imidazo[4,5-c]pyridin-2-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0399
N-cyclopentyl-4-({[3-(4-methoxybenzyl)-3H-imidazo[4,5-c]pyridin-2-yl]sulfanyl}methyl)benzamide

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

C878-0399

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

COc1ccc(Cn2c(SCc(cc3)ccc3C(NC3CCCC3)=O)nc3c2cncc3)cc1

InChI

InChI=1S/C27H28N4O2S/c1-33-23-12-8-19(9-13-23)17-31-25-16-28-15-14-24(25)30-27(31)34-18-20-6-10-21(11-7-20)26(32)29-22-4-2-3-5-22/h6-16,22H,2-5,17-18H2,1H3,(H,29,32)

InChI Key

FNGHOWVWEAQWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.34

Polar Surface Area

52.044

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

C878-0399 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C878-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0399?
Check Price and Availability of C878-0399, 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 C878-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0399
  • 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 C878-0399 available by request