E643-0519 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

E643-0519 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine
E643-0519 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0519
3-[(2,5-dimethylphenyl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

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

E643-0519

Molecular Formula

C23H23N3S (C23 H23 N3 S)

Compound Name

3-[(2,5-dimethylphenyl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

IUPAC name

3-[(25-dimethylphenyl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridine

SMILES

Cc1cccc(CSc(n2Cc3c(C)ccc(C)c3)nc3c2nccc3)c1

InChI

InChI=1S/C23H23N3S/c1-16-6-4-7-19(12-16)15-27-23-25-21-8-5-11-24-22(21)26(23)14-20-13-17(2)9-10-18(20)3/h4-13H,14-15H2,1-3H3

InChI Key

IUBINYYWBSTPBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.636

Distribution Coefficient, logD

6.632

Water Solubility, LogSw

-5.72

Polar Surface Area

20.384

Acid Dissociation Constant (pKa)

18.91

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E643-0519 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E643-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0519?
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What is the minimum amount of E643-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0519
  • 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 E643-0519 available by request