C878-1947 Screening compound: N-ethyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide

C878-1947 Screening compound: N-ethyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide
C878-1947 Screening compound: N-ethyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1947
N-ethyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)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

C878-1947

Molecular Formula

C23H21FN4OS (C23 H21 FN4 OS)

Compound Name

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

IUPAC name

N-ethyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]benzamide

SMILES

CCNC(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2cncc3)cc1)=O

InChI

InChI=1S/C23H21FN4OS/c1-2-26-22(29)18-7-3-16(4-8-18)14-28-21-13-25-12-11-20(21)27-23(28)30-15-17-5-9-19(24)10-6-17/h3-13H,2,14-15H2,1H3,(H,26,29)

InChI Key

KJEJOARLHPCUQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

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

3.729

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-3.74

Polar Surface Area

44.306

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C878-1947 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C878-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1947?
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What is the minimum amount of C878-1947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1947
  • 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 C878-1947 available by request