C878-1048 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide

C878-1048 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide
C878-1048 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1048
4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-cyclohexylbenzamide

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

C878-1048

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc2ccccc2)cc1)NC1CCCCC1

InChI

InChI=1S/C27H28N4OS/c32-26(29-23-9-5-2-6-10-23)22-13-11-21(12-14-22)19-33-27-30-24-15-16-28-17-25(24)31(27)18-20-7-3-1-4-8-20/h1,3-4,7-8,11-17,23H,2,5-6,9-10,18-19H2,(H,29,32)

InChI Key

DWIIEHRLTOLIEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.390

Water Solubility, LogSw

-5.42

Polar Surface Area

44.134

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C878-1048 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C878-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1048?
Check Price and Availability of C878-1048, 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 C878-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1048
  • 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 C878-1048 available by request