C796-0272 Screening compound: N-[(3-bromophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

C796-0272 Screening compound: N-[(3-bromophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide
C796-0272 Screening compound: N-[(3-bromophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0272
N-[(3-bromophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

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

C796-0272

Molecular Formula

C21H21BrN2O4S (C21 H21 BrN2 O4 S)

Compound Name

N-[(3-bromophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methanesulfonyl}acetamide

SMILES

Cc1c(CS(CC(NCc2cccc(Br)c2)=O)(=O)=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C21H21BrN2O4S/c1-14-6-8-17(9-7-14)21-24-19(15(2)28-21)12-29(26,27)13-20(25)23-11-16-4-3-5-18(22)10-16/h3-10H,11-13H2,1-2H3,(H,23,25)

InChI Key

SWRIGMJMGYLMFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.78

Polar Surface Area

70.861

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C796-0272 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 C796-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0272?
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What is the minimum amount of C796-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0272
  • 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 C796-0272 available by request