3976-0094 Screening compound: 4-{[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

3976-0094 Screening compound: 4-{[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
3976-0094 Screening compound: 4-{[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0094
4-{[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

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

3976-0094

Molecular Formula

C20H18BrN3O4S (C20 H18 BrN3 O4 S)

Compound Name

4-{[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

IUPAC name

4-{[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]amino}-N-(34-dimethyl-12-oxazol-5-yl)benzene-1-sulfonamide

SMILES

Cc1c(NS(c(cc2)ccc2N/C=C/C(c(cc2)ccc2Br)=O)(=O)=O)onc1C

InChI

InChI=1S/C20H18BrN3O4S/c1-13-14(2)23-28-20(13)24-29(26,27)18-9-7-17(8-10-18)22-12-11-19(25)15-3-5-16(21)6-4-15/h3-12,22,24H,1-2H3

InChI Key

GYNQMMJRVUPXIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-3.85

Polar Surface Area

87.785

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3976-0094 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 3976-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0094?
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What is the minimum amount of 3976-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0094
  • 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 3976-0094 available by request