E776-0122 Screening compound: N-(4-acetamidophenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

E776-0122 Screening compound: N-(4-acetamidophenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
E776-0122 Screening compound: N-(4-acetamidophenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0122
N-(4-acetamidophenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)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

E776-0122

Molecular Formula

C27H25N3O3S (C27 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1NC(c(cc1)ccc1-c1nc(CSc2ccc(C)cc2)c(C)o1)=O)=O

InChI

InChI=1S/C27H25N3O3S/c1-17-4-14-24(15-5-17)34-16-25-18(2)33-27(30-25)21-8-6-20(7-9-21)26(32)29-23-12-10-22(11-13-23)28-19(3)31/h4-15H,16H2,1-3H3,(H,28,31)(H,29,32)

InChI Key

TXSNXPWOMRLITR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.197

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-5.02

Polar Surface Area

64.442

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

E776-0122 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E776-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0122?
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What is the minimum amount of E776-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0122
  • 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 E776-0122 available by request