E776-0269 Screening compound: N-[(2-chlorophenyl)methyl]-4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzamide

E776-0269 Screening compound: N-[(2-chlorophenyl)methyl]-4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzamide
E776-0269 Screening compound: N-[(2-chlorophenyl)methyl]-4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0269
N-[(2-chlorophenyl)methyl]-4-{5-methyl-4-[(phenylsulfanyl)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

E776-0269

Molecular Formula

C25H21ClN2O2S (C25 H21 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc2ccccc2)nc(-c(cc2)ccc2C(NCc(cccc2)c2Cl)=O)o1

InChI

InChI=1S/C25H21ClN2O2S/c1-17-23(16-31-21-8-3-2-4-9-21)28-25(30-17)19-13-11-18(12-14-19)24(29)27-15-20-7-5-6-10-22(20)26/h2-14H,15-16H2,1H3,(H,27,29)

InChI Key

LNSVCUXRTNVDEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.835

Distribution Coefficient, logD

5.835

Water Solubility, LogSw

-5.88

Polar Surface Area

42.502

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E776-0269 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E776-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0269?
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What is the minimum amount of E776-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0269
  • 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 E776-0269 available by request