3976-0096 Screening compound: N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide

3976-0096 Screening compound: N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide
3976-0096 Screening compound: N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0096
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}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

3976-0096

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(NS(c(cc2)ccc2N/C=C/C(c(cc2)ccc2OC)=O)(=O)=O)onc1C

InChI

InChI=1S/C21H21N3O5S/c1-14-15(2)23-29-21(14)24-30(26,27)19-10-6-17(7-11-19)22-13-12-20(25)16-4-8-18(28-3)9-5-16/h4-13,22,24H,1-3H3

InChI Key

FOLNWHHWCUUGDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

0.575

Water Solubility, LogSw

-3.14

Polar Surface Area

95.328

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3976-0096 in Drug Discovery

Included in Screening Libraries

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 3976-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0096?
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What is the minimum amount of 3976-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0096
  • 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 3976-0096 available by request