E643-0781 Screening compound: 4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

E643-0781 Screening compound: 4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
E643-0781 Screening compound: 4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0781
4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

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

E643-0781

Molecular Formula

C25H21FN4O2S (C25 H21 FN4 O2 S)

Compound Name

4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

IUPAC name

4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-13-oxazole

SMILES

Cc1c(Cn2c(SCc3cc(F)ccc3)nc3c2nccc3)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C25H21FN4O2S/c1-16-22(28-24(32-16)18-8-10-20(31-2)11-9-18)14-30-23-21(7-4-12-27-23)29-25(30)33-15-17-5-3-6-19(26)13-17/h3-13H,14-15H2,1-2H3

InChI Key

YDQQKLLWQOZFTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.53

Polar Surface Area

46.050

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E643-0781 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E643-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of E643-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0781
  • 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 E643-0781 available by request