C878-0154 Screening compound: N-[(4-fluorophenyl)methyl]-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C878-0154 Screening compound: N-[(4-fluorophenyl)methyl]-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C878-0154 Screening compound: N-[(4-fluorophenyl)methyl]-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0154
N-[(4-fluorophenyl)methyl]-4-[({3-[(4-methylphenyl)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

C878-0154

Molecular Formula

C29H25FN4OS (C29 H25 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(SCc(cc3)ccc3C(NCc(cc3)ccc3F)=O)nc3c2cncc3)cc1

InChI

InChI=1S/C29H25FN4OS/c1-20-2-4-22(5-3-20)18-34-27-17-31-15-14-26(27)33-29(34)36-19-23-6-10-24(11-7-23)28(35)32-16-21-8-12-25(30)13-9-21/h2-15,17H,16,18-19H2,1H3,(H,32,35)

InChI Key

JWNVXQBBIYLEIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

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

5.513

Distribution Coefficient, logD

5.510

Water Solubility, LogSw

-5.09

Polar Surface Area

44.409

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C878-0154 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C878-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0154?
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What is the minimum amount of C878-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0154
  • 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 C878-0154 available by request