C875-0454 Screening compound: 2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2,3,4-trimethoxyphenyl)acetamide

C875-0454 Screening compound: 2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2,3,4-trimethoxyphenyl)acetamide
C875-0454 Screening compound: 2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2,3,4-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0454
2-(2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2,3,4-trimethoxyphenyl)acetamide

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

C875-0454

Molecular Formula

C26H28N4O4S (C26 H28 N4 O4 S)

Compound Name

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

IUPAC name

2-(2-{[(25-dimethylphenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)-N-(234-trimethoxyphenyl)acetamide

SMILES

Cc1cc(CSc2nc(ccnc3)c3n2CC(Nc(ccc(OC)c2OC)c2OC)=O)c(C)cc1

InChI

InChI=1S/C26H28N4O4S/c1-16-6-7-17(2)18(12-16)15-35-26-29-19-10-11-27-13-21(19)30(26)14-23(31)28-20-8-9-22(32-3)25(34-5)24(20)33-4/h6-13H,14-15H2,1-5H3,(H,28,31)

InChI Key

RSSFLLIZMOIBNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-4.70

Polar Surface Area

65.511

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C875-0454 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system

References: we are preparing a list of scientific research reports with C875-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0454?
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What is the minimum amount of C875-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0454
  • 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 C875-0454 available by request