C875-0678 Screening compound: 2-{2-[(2-fluorobenzyl)sulfanyl]-3H-imidazo[4,5-c]pyridin-3-yl}-1-(1-pyrrolidinyl)-1-ethanone

C875-0678 Screening compound: 2-{2-[(2-fluorobenzyl)sulfanyl]-3H-imidazo[4,5-c]pyridin-3-yl}-1-(1-pyrrolidinyl)-1-ethanone
C875-0678 Screening compound: 2-{2-[(2-fluorobenzyl)sulfanyl]-3H-imidazo[4,5-c]pyridin-3-yl}-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0678
2-{2-[(2-fluorobenzyl)sulfanyl]-3H-imidazo[4,5-c]pyridin-3-yl}-1-(1-pyrrolidinyl)-1-ethanone

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

C875-0678

Molecular Formula

C19H19FN4OS (C19 H19 FN4 OS)

Compound Name

2-{2-[(2-fluorobenzyl)sulfanyl]-3H-imidazo[4,5-c]pyridin-3-yl}-1-(1-pyrrolidinyl)-1-ethanone

IUPAC name

2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(SCc(cccc2)c2F)nc2c1cncc2)N1CCCC1

InChI

InChI=1S/C19H19FN4OS/c20-15-6-2-1-5-14(15)13-26-19-22-16-7-8-21-11-17(16)24(19)12-18(25)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12-13H2

InChI Key

KXZOYMZOLWNOJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.35

Polar Surface Area

36.754

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

C875-0678 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C875-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0678?
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What is the minimum amount of C875-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0678
  • 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 C875-0678 available by request