C130-0502 Screening compound: 2-(4-phenylpiperazin-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine

C130-0502 Screening compound: 2-(4-phenylpiperazin-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine
C130-0502 Screening compound: 2-(4-phenylpiperazin-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0502
2-(4-phenylpiperazin-1-yl)-4-(thiophen-2-yl)-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

C130-0502

Molecular Formula

C19H17F3N4S (C19 H17 F3 N4 S)

Compound Name

2-(4-phenylpiperazin-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine

IUPAC name

2-(4-phenylpiperazin-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine

SMILES

FC(c1cc(-c2cccs2)nc(N(CC2)CCN2c2ccccc2)n1)(F)F

InChI

InChI=1S/C19H17F3N4S/c20-19(21,22)17-13-15(16-7-4-12-27-16)23-18(24-17)26-10-8-25(9-11-26)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2

InChI Key

VBWYBVXCDMBXHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-6.13

Polar Surface Area

25.196

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C130-0502 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C130-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0502?
Check Price and Availability of C130-0502, 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 C130-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0502
  • 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 C130-0502 available by request