C878-0197 Screening compound: 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide

C878-0197 Screening compound: 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
C878-0197 Screening compound: 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0197
4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(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

C878-0197

Molecular Formula

C27H22FN5OS (C27 H22 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc2cc(F)ccc2)cc1)NCc1cnccc1

InChI

InChI=1S/C27H22FN5OS/c28-23-5-1-3-20(13-23)17-33-25-16-30-12-10-24(25)32-27(33)35-18-19-6-8-22(9-7-19)26(34)31-15-21-4-2-11-29-14-21/h1-14,16H,15,17-18H2,(H,31,34)

InChI Key

JJMILJVWHMJRIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

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

3.955

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-3.95

Polar Surface Area

53.926

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C878-0197 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C878-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0197?
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What is the minimum amount of C878-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0197
  • 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 C878-0197 available by request