C878-1013 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(4-fluorophenyl)methyl]benzamide

C878-1013 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(4-fluorophenyl)methyl]benzamide
C878-1013 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1013
4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(4-fluorophenyl)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

C878-1013

Molecular Formula

C28H23FN4OS (C28 H23 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc2ccccc2)cc1)NCc(cc1)ccc1F

InChI

InChI=1S/C28H23FN4OS/c29-24-12-8-20(9-13-24)16-31-27(34)23-10-6-22(7-11-23)19-35-28-32-25-14-15-30-17-26(25)33(28)18-21-4-2-1-3-5-21/h1-15,17H,16,18-19H2,(H,31,34)

InChI Key

ADUHGZYWFLKRQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

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

5.090

Distribution Coefficient, logD

5.087

Water Solubility, LogSw

-5.04

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

10.70

C878-1013 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C878-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1013?
Check Price and Availability of C878-1013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C878-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1013
  • 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 C878-1013 available by request