C878-0285 Screening compound: N-(butan-2-yl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C878-0285 Screening compound: N-(butan-2-yl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C878-0285 Screening compound: N-(butan-2-yl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0285
N-(butan-2-yl)-4-[({3-[(4-fluorophenyl)methyl]-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

C878-0285

Molecular Formula

C25H25FN4OS (C25 H25 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2F)cc1)=O

InChI

InChI=1S/C25H25FN4OS/c1-3-17(2)28-24(31)20-8-4-19(5-9-20)16-32-25-29-22-12-13-27-14-23(22)30(25)15-18-6-10-21(26)11-7-18/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)/t17-/m0/s1

InChI Key

DCDYNOIAIQMOPO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14802856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-3.99

Polar Surface Area

44.122

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C878-0285 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C878-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0285?
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What is the minimum amount of C878-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0285
  • 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 C878-0285 available by request