5182-3105 Screening compound: 4-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)-N~1~-(5-methyl-3-isoxazolyl)-1-benzenesulfonamide

5182-3105 Screening compound: 4-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)-N~1~-(5-methyl-3-isoxazolyl)-1-benzenesulfonamide
5182-3105 Screening compound: 4-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)-N~1~-(5-methyl-3-isoxazolyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5182-3105
4-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)-N~1~-(5-methyl-3-isoxazolyl)-1-benzenesulfonamide

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

5182-3105

Molecular Formula

C20H20N4O6S2 (C20 H20 N4 O6 S2)

Compound Name

4-({[(3,4-dimethoxybenzoyl)amino]carbothioyl}amino)-N~1~-(5-methyl-3-isoxazolyl)-1-benzenesulfonamide

IUPAC name

1-(34-dimethoxybenzoyl)-3-{4-[(5-methyl-12-oxazol-3-yl)sulfamoyl]phenyl}thiourea

SMILES

Cc1cc(NS(c(cc2)ccc2NC(NC(c(cc2)cc(OC)c2OC)=O)=S)(=O)=O)no1

InChI

InChI=1S/C20H20N4O6S2/c1-12-10-18(23-30-12)24-32(26,27)15-7-5-14(6-8-15)21-20(31)22-19(25)13-4-9-16(28-2)17(11-13)29-3/h4-11H,1-3H3,(H,23,24)(H2,21,22,25,31)

InChI Key

AOAVWQLHIOCLOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01984399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

1.099

Water Solubility, LogSw

-3.64

Polar Surface Area

110.946

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5182-3105 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 5182-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5182-3105?
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What is the minimum amount of 5182-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5182-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5182-3105
  • 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 5182-3105 available by request