8016-5304 Screening compound: 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1-(3-methylbenzoyl)urea

8016-5304 Screening compound: 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1-(3-methylbenzoyl)urea
8016-5304 Screening compound: 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1-(3-methylbenzoyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5304
3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1-(3-methylbenzoyl)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

8016-5304

Molecular Formula

C20H14F4N4O2 (C20 H14 F4 N4 O2)

Compound Name

3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1-(3-methylbenzoyl)urea

IUPAC name

3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1-(3-methylbenzoyl)urea

SMILES

Cc1cccc(C(NC(Nc2nc(C(F)(F)F)cc(-c(cc3)ccc3F)n2)=O)=O)c1

InChI

InChI=1S/C20H14F4N4O2/c1-11-3-2-4-13(9-11)17(29)27-19(30)28-18-25-15(10-16(26-18)20(22,23)24)12-5-7-14(21)8-6-12/h2-10H,1H3,(H2,25,26,27,28,29,30)

InChI Key

OAUAXLQMHXTJMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.35

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

5.085

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.95

Polar Surface Area

66.154

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8016-5304 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 8016-5304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5304?
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What is the minimum amount of 8016-5304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5304
  • 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 8016-5304 available by request