S471-0186 Screening compound: 4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

S471-0186 Screening compound: 4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
S471-0186 Screening compound: 4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0186
4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methyl-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

S471-0186

Molecular Formula

C17H15ClF4N4O (C17 H15 ClF4 N4 O)

Compound Name

4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

IUPAC name

4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

SMILES

Cc1nc(C(F)(F)F)cc(N(CC2)CCN2C(c(cc(cc2)Cl)c2F)=O)n1

InChI

InChI=1S/C17H15ClF4N4O/c1-10-23-14(17(20,21)22)9-15(24-10)25-4-6-26(7-5-25)16(27)12-8-11(18)2-3-13(12)19/h2-3,8-9H,4-7H2,1H3

InChI Key

YIIHVSJCLBDYEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.78

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

4.059

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.47

Polar Surface Area

37.795

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with S471-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0186?
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What is the minimum amount of S471-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0186
  • 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 S471-0186 available by request