C797-1081 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

C797-1081 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide
C797-1081 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1081
4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]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

C797-1081

Molecular Formula

C29H33N5OS (C29 H33 N5 OS)

Compound Name

4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

IUPAC name

4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

SMILES

Cc1cccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2C(NCCN2CCCCC2)=O)c1

InChI

InChI=1S/C29H33N5OS/c1-22-6-5-7-24(18-22)21-36-29-32-26-12-13-30-19-27(26)34(29)20-23-8-10-25(11-9-23)28(35)31-14-17-33-15-3-2-4-16-33/h5-13,18-19H,2-4,14-17,20-21H2,1H3,(H,31,35)

InChI Key

ZBNDCCJTCKHBSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.55

Polar Surface Area

48.233

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C797-1081 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C797-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1081?
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What is the minimum amount of C797-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1081
  • 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 C797-1081 available by request