S471-0095 Screening compound: 2-(thiophen-2-yl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

S471-0095 Screening compound: 2-(thiophen-2-yl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
S471-0095 Screening compound: 2-(thiophen-2-yl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0095
2-(thiophen-2-yl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-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

S471-0095

Molecular Formula

C15H15F3N4OS (C15 H15 F3 N4 OS)

Compound Name

2-(thiophen-2-yl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(thiophen-2-yl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

SMILES

O=C(Cc1cccs1)N(CC1)CCN1c1ncnc(C(F)(F)F)c1

InChI

InChI=1S/C15H15F3N4OS/c16-15(17,18)12-9-13(20-10-19-12)21-3-5-22(6-4-21)14(23)8-11-2-1-7-24-11/h1-2,7,9-10H,3-6,8H2

InChI Key

ISQLMGGORIVFKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28383505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.37

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

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-2.94

Polar Surface Area

39.911

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S471-0095 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S471-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0095?
Check Price and Availability of S471-0095, 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 S471-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0095
  • 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 S471-0095 available by request