3976-0069 Screening compound: N-(3,4-DIMETHYL-1,2-OXAZOL-5-YL)-4-{[(1E)-3-OXO-3-(PYRIDIN-4-YL)PROP-1-EN-1-YL]AMINO}BENZENE-1-SULFONAMIDE

3976-0069 Screening compound: N-(3,4-DIMETHYL-1,2-OXAZOL-5-YL)-4-{[(1E)-3-OXO-3-(PYRIDIN-4-YL)PROP-1-EN-1-YL]AMINO}BENZENE-1-SULFONAMIDE
3976-0069 Screening compound: N-(3,4-DIMETHYL-1,2-OXAZOL-5-YL)-4-{[(1E)-3-OXO-3-(PYRIDIN-4-YL)PROP-1-EN-1-YL]AMINO}BENZENE-1-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0069
N-(3,4-DIMETHYL-1,2-OXAZOL-5-YL)-4-{[(1E)-3-OXO-3-(PYRIDIN-4-YL)PROP-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

3976-0069

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

N-(3,4-DIMETHYL-1,2-OXAZOL-5-YL)-4-{[(1E)-3-OXO-3-(PYRIDIN-4-YL)PROP-1-EN-1-YL]AMINO}BENZENE-1-SULFONAMIDE

IUPAC name

n/a

SMILES

Cc1c(NS(c(cc2)ccc2N/C=C/C(c2ccncc2)=O)(=O)=O)onc1C

InChI

InChI=1S/C19H18N4O4S/c1-13-14(2)22-27-19(13)23-28(25,26)17-5-3-16(4-6-17)21-12-9-18(24)15-7-10-20-11-8-15/h3-12,21,23H,1-2H3

InChI Key

KGCFJXZHRBCKRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.352

Distribution Coefficient, logD

-0.657

Water Solubility, LogSw

-2.46

Polar Surface Area

97.213

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3976-0069 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3976-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0069?
Check Price and Availability of 3976-0069, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3976-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0069
  • 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 3976-0069 available by request