8004-7449 Screening compound: {[(2,5-dichloroanilino)carbonyl]amino}(4-methylphenyl)dioxo-lambda~6~-sulfane

8004-7449 Screening compound: {[(2,5-dichloroanilino)carbonyl]amino}(4-methylphenyl)dioxo-lambda~6~-sulfane
8004-7449 Screening compound: {[(2,5-dichloroanilino)carbonyl]amino}(4-methylphenyl)dioxo-lambda~6~-sulfane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7449
{[(2,5-dichloroanilino)carbonyl]amino}(4-methylphenyl)dioxo-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

8004-7449

Molecular Formula

C14H12Cl2N2O3S (C14 H12 Cl2 N2 O3 S)

Compound Name

{[(2,5-dichloroanilino)carbonyl]amino}(4-methylphenyl)dioxo-lambda~6~-sulfane

IUPAC name

3-(25-dichlorophenyl)-1-(4-methylbenzenesulfonyl)urea

SMILES

Cc(cc1)ccc1S(NC(Nc(cc(cc1)Cl)c1Cl)=O)(=O)=O

InChI

InChI=1S/C14H12Cl2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-13-8-10(15)4-7-12(13)16/h2-8H,1H3,(H2,17,18,19)

InChI Key

BWBFNPRSLLKIME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

-0.309

Water Solubility, LogSw

-4.19

Polar Surface Area

63.581

Acid Dissociation Constant (pKa)

3.07

Base Dissociation Constant (pKb)

-6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

References: we are preparing a list of scientific research reports with 8004-7449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7449?
Check Price and Availability of 8004-7449, 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 8004-7449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7449
  • 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 8004-7449 available by request