C797-0904 Screening compound: 1-{4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-3-methylpiperidine

C797-0904 Screening compound: 1-{4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-3-methylpiperidine
C797-0904 Screening compound: 1-{4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-3-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0904
1-{4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-3-methylpiperidine

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

C797-0904

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

1-{4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-3-methylpiperidine

IUPAC name

1-{4-[({3-benzyl-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-3-methylpiperidine

SMILES

CC(CCC1)CN1C(c1ccc(CSc2nc(ccnc3)c3n2Cc2ccccc2)cc1)=O

InChI

InChI=1S/C27H28N4OS/c1-20-6-5-15-30(17-20)26(32)23-11-9-22(10-12-23)19-33-27-29-24-13-14-28-16-25(24)31(27)18-21-7-3-2-4-8-21/h2-4,7-14,16,20H,5-6,15,17-19H2,1H3/t20-/m0/s1

InChI Key

XCSPWIGQSLSIBP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14798432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.808

Water Solubility, LogSw

-4.30

Polar Surface Area

36.577

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C797-0904 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C797-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0904?
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What is the minimum amount of C797-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0904
  • 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 C797-0904 available by request