C797-1045 Screening compound: N-[3-(diethylamino)propyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide

C797-1045 Screening compound: N-[3-(diethylamino)propyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide
C797-1045 Screening compound: N-[3-(diethylamino)propyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1045
N-[3-(diethylamino)propyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)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

C797-1045

Molecular Formula

C29H35N5OS (C29 H35 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCCNC(c1ccc(Cn2c(SCc3ccc(C)cc3)nc3c2cncc3)cc1)=O

InChI

InChI=1S/C29H35N5OS/c1-4-33(5-2)18-6-16-31-28(35)25-13-11-23(12-14-25)20-34-27-19-30-17-15-26(27)32-29(34)36-21-24-9-7-22(3)8-10-24/h7-15,17,19H,4-6,16,18,20-21H2,1-3H3,(H,31,35)

InChI Key

PWUTWMAUSCFXMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.823

Distribution Coefficient, logD

2.102

Water Solubility, LogSw

-4.07

Polar Surface Area

47.933

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C797-1045 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C797-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1045?
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What is the minimum amount of C797-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1045
  • 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 C797-1045 available by request