8013-5707 Screening compound: 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)benzoyl]urea

8013-5707 Screening compound: 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)benzoyl]urea
8013-5707 Screening compound: 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)benzoyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5707
3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[4-(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

8013-5707

Molecular Formula

C20H12F6N4O2 (C20 H12 F6 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(C(F)(F)F)cc1)NC(Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C20H12F6N4O2/c21-19(22,23)13-8-6-12(7-9-13)16(31)29-18(32)30-17-27-14(11-4-2-1-3-5-11)10-15(28-17)20(24,25)26/h1-10H,(H2,27,28,29,30,31,32)

InChI Key

PCWPTNSCIGIIJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-6.01

Polar Surface Area

66.154

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8013-5707 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 8013-5707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5707?
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What is the minimum amount of 8013-5707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5707
  • 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 8013-5707 available by request