E776-0158 Screening compound: N-[(2-ethoxyphenyl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

E776-0158 Screening compound: N-[(2-ethoxyphenyl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
E776-0158 Screening compound: N-[(2-ethoxyphenyl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0158
N-[(2-ethoxyphenyl)methyl]-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

E776-0158

Molecular Formula

C28H28N2O3S (C28 H28 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNC(c(cc2)ccc2-c2nc(CSc3ccc(C)cc3)c(C)o2)=O)cccc1

InChI

InChI=1S/C28H28N2O3S/c1-4-32-26-8-6-5-7-23(26)17-29-27(31)21-11-13-22(14-12-21)28-30-25(20(3)33-28)18-34-24-15-9-19(2)10-16-24/h5-16H,4,17-18H2,1-3H3,(H,29,31)

InChI Key

FMVKWQKPQQXNGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.271

Distribution Coefficient, logD

6.271

Water Solubility, LogSw

-5.63

Polar Surface Area

49.712

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E776-0158 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E776-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0158?
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What is the minimum amount of E776-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0158
  • 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 E776-0158 available by request