8016-0271 Screening compound: N-(2-methoxybenzoyl)-N'-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]urea

8016-0271 Screening compound: N-(2-methoxybenzoyl)-N'-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]urea
8016-0271 Screening compound: N-(2-methoxybenzoyl)-N'-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0271
N-(2-methoxybenzoyl)-N'-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]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

8016-0271

Molecular Formula

C15H13F3N4O3 (C15 H13 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(F)(F)F)nc(NC(NC(c(cccc2)c2OC)=O)=O)n1

InChI

InChI=1S/C15H13F3N4O3/c1-8-7-11(15(16,17)18)20-13(19-8)22-14(24)21-12(23)9-5-3-4-6-10(9)25-2/h3-7H,1-2H3,(H2,19,20,21,22,23,24)

InChI Key

QDKCMFFSLHQORE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-3.14

Polar Surface Area

73.862

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8016-0271 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 8016-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0271?
Check Price and Availability of 8016-0271, 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 8016-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0271
  • 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 8016-0271 available by request