C130-0094 Screening compound: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

C130-0094 Screening compound: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
C130-0094 Screening compound: 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0094
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

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

C130-0094

Molecular Formula

C22H17F5N4O (C22 H17 F5 N4 O)

Compound Name

2-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

IUPAC name

2-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

SMILES

O=C(c1cccc(F)c1)N(CC1)CCN1c1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1

InChI

InChI=1S/C22H17F5N4O/c23-16-6-4-14(5-7-16)18-13-19(22(25,26)27)29-21(28-18)31-10-8-30(9-11-31)20(32)15-2-1-3-17(24)12-15/h1-7,12-13H,8-11H2

InChI Key

GUAGRSFQNKAYCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.56

Polar Surface Area

37.374

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C130-0094 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with C130-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0094?
Check Price and Availability of C130-0094, 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 C130-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0094
  • 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 C130-0094 available by request