4038-0199 Screening compound: (4-methylphenyl)(dioxo)({[2-(phenylsulfanyl)anilino]carbonyl}amino)-lambda~6~-sulfane

4038-0199 Screening compound: (4-methylphenyl)(dioxo)({[2-(phenylsulfanyl)anilino]carbonyl}amino)-lambda~6~-sulfane
4038-0199 Screening compound: (4-methylphenyl)(dioxo)({[2-(phenylsulfanyl)anilino]carbonyl}amino)-lambda~6~-sulfane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4038-0199
(4-methylphenyl)(dioxo)({[2-(phenylsulfanyl)anilino]carbonyl}amino)-lambda~6~-sulfane

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

4038-0199

Molecular Formula

C20H18N2O3S2 (C20 H18 N2 O3 S2)

Compound Name

(4-methylphenyl)(dioxo)({[2-(phenylsulfanyl)anilino]carbonyl}amino)-lambda~6~-sulfane

IUPAC name

3-(4-methylbenzenesulfonyl)-1-[2-(phenylsulfanyl)phenyl]urea

SMILES

Cc(cc1)ccc1S(NC(Nc(cccc1)c1Sc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C20H18N2O3S2/c1-15-11-13-17(14-12-15)27(24,25)22-20(23)21-18-9-5-6-10-19(18)26-16-7-3-2-4-8-16/h2-14H,1H3,(H2,21,22,23)

InChI Key

QLQKNNBGTKMQFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.698

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-4.39

Polar Surface Area

63.309

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4038-0199 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4038-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4038-0199?
Check Price and Availability of 4038-0199, 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 4038-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4038-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4038-0199
  • 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 4038-0199 available by request