8014-2363 Screening compound: 1-(3-chlorobenzenesulfonyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

8014-2363 Screening compound: 1-(3-chlorobenzenesulfonyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea
8014-2363 Screening compound: 1-(3-chlorobenzenesulfonyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2363
1-(3-chlorobenzenesulfonyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

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

8014-2363

Molecular Formula

C18H12ClF3N4O3S (C18 H12 ClF3 N4 O3 S)

Compound Name

1-(3-chlorobenzenesulfonyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

IUPAC name

1-(3-chlorobenzenesulfonyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

SMILES

O=C(Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NS(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C18H12ClF3N4O3S/c19-12-7-4-8-13(9-12)30(28,29)26-17(27)25-16-23-14(11-5-2-1-3-6-11)10-15(24-16)18(20,21)22/h1-10H,(H2,23,24,25,26,27)

InChI Key

LCVFDGLUIZDGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-5.30

Polar Surface Area

83.712

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8014-2363 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-2363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2363?
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What is the minimum amount of 8014-2363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2363
  • 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 8014-2363 available by request