E776-0035 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

E776-0035 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
E776-0035 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0035
N-[2-(4-chlorophenyl)ethyl]-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

E776-0035

Molecular Formula

C27H25ClN2O2S (C27 H25 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(NCCc(cc2)ccc2Cl)=O)o1

InChI

InChI=1S/C27H25ClN2O2S/c1-18-3-13-24(14-4-18)33-17-25-19(2)32-27(30-25)22-9-7-21(8-10-22)26(31)29-16-15-20-5-11-23(28)12-6-20/h3-14H,15-17H2,1-2H3,(H,29,31)

InChI Key

DWZPSPPQHJJZEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.190

Distribution Coefficient, logD

6.190

Water Solubility, LogSw

-6.23

Polar Surface Area

42.344

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E776-0035 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E776-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0035?
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What is the minimum amount of E776-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0035
  • 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 E776-0035 available by request