C797-1101 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

C797-1101 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
C797-1101 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1101
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-N-[3-(4-methylpiperazin-1-yl)propyl]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

C797-1101

Molecular Formula

C29H34N6OS (C29 H34 N6 OS)

Compound Name

4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

IUPAC name

4-{[2-(benzylsulfanyl)-3H-imidazo[45-c]pyridin-3-yl]methyl}-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

SMILES

CN1CCN(CCCNC(c2ccc(Cn3c(SCc4ccccc4)nc4c3cncc4)cc2)=O)CC1

InChI

InChI=1S/C29H34N6OS/c1-33-16-18-34(19-17-33)15-5-13-31-28(36)25-10-8-23(9-11-25)21-35-27-20-30-14-12-26(27)32-29(35)37-22-24-6-3-2-4-7-24/h2-4,6-12,14,20H,5,13,15-19,21-22H2,1H3,(H,31,36)

InChI Key

ZAGZIKFZODIKTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-3.17

Polar Surface Area

51.709

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C797-1101 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 C797-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1101?
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What is the minimum amount of C797-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1101
  • 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 C797-1101 available by request