E776-0251 Screening compound: 4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-[(pyridin-3-yl)methyl]benzamide

E776-0251 Screening compound: 4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-[(pyridin-3-yl)methyl]benzamide
E776-0251 Screening compound: 4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0251
4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}-N-[(pyridin-3-yl)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

E776-0251

Molecular Formula

C24H21N3O2S (C24 H21 N3 O2 S)

Compound Name

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

IUPAC name

4-{5-methyl-4-[(phenylsulfanyl)methyl]-13-oxazol-2-yl}-N-[(pyridin-3-yl)methyl]benzamide

SMILES

Cc1c(CSc2ccccc2)nc(-c(cc2)ccc2C(NCc2cnccc2)=O)o1

InChI

InChI=1S/C24H21N3O2S/c1-17-22(16-30-21-7-3-2-4-8-21)27-24(29-17)20-11-9-19(10-12-20)23(28)26-15-18-6-5-13-25-14-18/h2-14H,15-16H2,1H3,(H,26,28)

InChI Key

DUJMSIZTVYGFHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-3.72

Polar Surface Area

52.020

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E776-0251 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 E776-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0251?
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What is the minimum amount of E776-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0251
  • 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 E776-0251 available by request