E776-0229 Screening compound: 4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

E776-0229 Screening compound: 4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
E776-0229 Screening compound: 4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0229
4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]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

E776-0229

Molecular Formula

C27H26N2O2S2 (C27 H26 N2 O2 S2)

Compound Name

4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

IUPAC name

4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-13-oxazol-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(NCc(cc2)ccc2SC)=O)o1

InChI

InChI=1S/C27H26N2O2S2/c1-18-4-12-24(13-5-18)33-17-25-19(2)31-27(29-25)22-10-8-21(9-11-22)26(30)28-16-20-6-14-23(32-3)15-7-20/h4-15H,16-17H2,1-3H3,(H,28,30)

InChI Key

AIYLDKSZHLGCKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.381

Distribution Coefficient, logD

6.381

Water Solubility, LogSw

-5.53

Polar Surface Area

42.502

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E776-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0229?
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What is the minimum amount of E776-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0229
  • 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 E776-0229 available by request