S471-0061 Screening compound: 4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

S471-0061 Screening compound: 4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
S471-0061 Screening compound: 4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0061
4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-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

S471-0061

Molecular Formula

C17H16F4N4O (C17 H16 F4 N4 O)

Compound Name

4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

IUPAC name

4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

SMILES

Cc(ccc(C(N(CC1)CCN1c1ncnc(C(F)(F)F)c1)=O)c1)c1F

InChI

InChI=1S/C17H16F4N4O/c1-11-2-3-12(8-13(11)18)16(26)25-6-4-24(5-7-25)15-9-14(17(19,20)21)22-10-23-15/h2-3,8-10H,4-7H2,1H3

InChI Key

VXBCDFMJGIVJHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.56

Polar Surface Area

39.420

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with S471-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0061?
Check Price and Availability of S471-0061, 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 S471-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0061
  • 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 S471-0061 available by request