8015-6944 Screening compound: N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-(2-thienylcarbonyl)urea

8015-6944 Screening compound: N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-(2-thienylcarbonyl)urea
8015-6944 Screening compound: N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-(2-thienylcarbonyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6944
N-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-N'-(2-thienylcarbonyl)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

8015-6944

Molecular Formula

C12H9F3N4O2S (C12 H9 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(NC(NC(c2cccs2)=O)=O)nc(C(F)(F)F)c1

InChI

InChI=1S/C12H9F3N4O2S/c1-6-5-8(12(13,14)15)17-10(16-6)19-11(21)18-9(20)7-3-2-4-22-7/h2-5H,1H3,(H2,16,17,18,19,20,21)

InChI Key

MDRKOSZZXCBNGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-3.08

Polar Surface Area

67.250

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8015-6944 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8015-6944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6944?
Check Price and Availability of 8015-6944, 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 8015-6944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6944
  • 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 8015-6944 available by request