E776-0322 Screening compound: 4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-(2-phenylethyl)benzamide

E776-0322 Screening compound: 4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-(2-phenylethyl)benzamide
E776-0322 Screening compound: 4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-(2-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0322
4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-(2-phenylethyl)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

E776-0322

Molecular Formula

C26H24N2O2S (C26 H24 N2 O2 S)

Compound Name

4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-(2-phenylethyl)benzamide

IUPAC name

4-{5-methyl-4-[(phenylsulfanyl)methyl]-13-oxazol-2-yl}-N-(2-phenylethyl)benzamide

SMILES

Cc1c(CSc2ccccc2)nc(-c(cc2)ccc2C(NCCc2ccccc2)=O)o1

InChI

InChI=1S/C26H24N2O2S/c1-19-24(18-31-23-10-6-3-7-11-23)28-26(30-19)22-14-12-21(13-15-22)25(29)27-17-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,27,29)

InChI Key

YTTXSSSZQHHCLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

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

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.63

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

15.40

E776-0322 in Drug Discovery

Included in Screening Libraries

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E776-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0322?
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What is the minimum amount of E776-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0322
  • 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 E776-0322 available by request