8013-5903 Screening compound: N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-[3-(trifluoromethyl)benzoyl]urea

8013-5903 Screening compound: N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-[3-(trifluoromethyl)benzoyl]urea
8013-5903 Screening compound: N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-[3-(trifluoromethyl)benzoyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5903
N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-[3-(trifluoromethyl)benzoyl]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

8013-5903

Molecular Formula

C15H10F6N4O2 (C15 H10 F6 N4 O2)

Compound Name

N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-[3-(trifluoromethyl)benzoyl]urea

IUPAC name

3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)benzoyl]urea

SMILES

Cc1cc(C(F)(F)F)nc(NC(NC(c2cc(C(F)(F)F)ccc2)=O)=O)n1

InChI

InChI=1S/C15H10F6N4O2/c1-7-5-10(15(19,20)21)23-12(22-7)25-13(27)24-11(26)8-3-2-4-9(6-8)14(16,17)18/h2-6H,1H3,(H2,22,23,24,25,26,27)

InChI Key

FWYPGUFWMAWHEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-3.77

Polar Surface Area

66.232

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8013-5903 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8013-5903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5903?
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What is the minimum amount of 8013-5903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5903
  • 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 8013-5903 available by request