8012-8419 Screening compound: 3-(4-methoxy-6-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)benzoyl]urea

8012-8419 Screening compound: 3-(4-methoxy-6-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)benzoyl]urea
8012-8419 Screening compound: 3-(4-methoxy-6-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)benzoyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8419
3-(4-methoxy-6-methylpyrimidin-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

8012-8419

Molecular Formula

C15H13F3N4O3 (C15 H13 F3 N4 O3)

Compound Name

3-(4-methoxy-6-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)benzoyl]urea

IUPAC name

3-(4-methoxy-6-methylpyrimidin-2-yl)-1-[4-(trifluoromethyl)benzoyl]urea

SMILES

Cc1nc(NC(NC(c2ccc(C(F)(F)F)cc2)=O)=O)nc(OC)c1

InChI

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

InChI Key

JGOXLUAYVXRESI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231192

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

3.082

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.39

Polar Surface Area

73.676

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8012-8419 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-8419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8419?
Check Price and Availability of 8012-8419, 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 8012-8419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8419
  • 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 8012-8419 available by request