S471-0016 Screening compound: 2-(4-chlorophenyl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

S471-0016 Screening compound: 2-(4-chlorophenyl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
S471-0016 Screening compound: 2-(4-chlorophenyl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0016
2-(4-chlorophenyl)-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

S471-0016

Molecular Formula

C17H16ClF3N4O (C17 H16 ClF3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cc1)ccc1Cl)N(CC1)CCN1c1ncnc(C(F)(F)F)c1

InChI

InChI=1S/C17H16ClF3N4O/c18-13-3-1-12(2-4-13)9-16(26)25-7-5-24(6-8-25)15-10-14(17(19,20)21)22-11-23-15/h1-4,10-11H,5-9H2

InChI Key

LPKFFIQWOJECQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.79

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

3.787

Distribution Coefficient, logD

3.787

Water Solubility, LogSw

-4.25

Polar Surface Area

38.893

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

S471-0016 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S471-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0016?
Check Price and Availability of S471-0016, 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 S471-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0016
  • 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 S471-0016 available by request