1731-1594 Screening compound: 3-(4-methylbenzenesulfonamido)-1-phenylurea

1731-1594 Screening compound: 3-(4-methylbenzenesulfonamido)-1-phenylurea
1731-1594 Screening compound: 3-(4-methylbenzenesulfonamido)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-1594
3-(4-methylbenzenesulfonamido)-1-phenylurea

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

1731-1594

Molecular Formula

C14H15N3O3S (C14 H15 N3 O3 S)

Compound Name

3-(4-methylbenzenesulfonamido)-1-phenylurea

IUPAC name

3-(4-methylbenzenesulfonamido)-1-phenylurea

SMILES

Cc(cc1)ccc1S(NNC(Nc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C14H15N3O3S/c1-11-7-9-13(10-8-11)21(19,20)17-16-14(18)15-12-5-3-2-4-6-12/h2-10,17H,1H3,(H2,15,16,18)

InChI Key

ZZTIZZKLVOVNBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00418720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.96

Polar Surface Area

75.921

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1731-1594 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 1731-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-1594?
Check Price and Availability of 1731-1594, 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 1731-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-1594
  • 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 1731-1594 available by request