8014-8960 Screening compound: 4-[(1E)-2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

8014-8960 Screening compound: 4-[(1E)-2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one
8014-8960 Screening compound: 4-[(1E)-2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8960
4-[(1E)-2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

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

8014-8960

Molecular Formula

C16H10ClF3N4O (C16 H10 ClF3 N4 O)

Compound Name

4-[(1E)-2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

IUPAC name

4-[(1E)-2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-12-dihydropyrimidin-2-one

SMILES

O=C1N=C(/C=C/c2c[nH]nc2-c(cc2)ccc2Cl)C=C(C(F)(F)F)N1

InChI

InChI=1S/C16H10ClF3N4O/c17-11-4-1-9(2-5-11)14-10(8-21-24-14)3-6-12-7-13(16(18,19)20)23-15(25)22-12/h1-8H,(H,21,24)(H,22,23,25)

InChI Key

NONZLGKVZLPYQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

-0.059

Water Solubility, LogSw

-4.59

Polar Surface Area

57.255

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8014-8960 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

KRAS-Targeted Library (16000 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-8960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8960?
Check Price and Availability of 8014-8960, 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 8014-8960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8960
  • 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 8014-8960 available by request