S471-1147 Screening compound: N-{[2-(trifluoromethyl)phenyl]methyl}-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

S471-1147 Screening compound: N-{[2-(trifluoromethyl)phenyl]methyl}-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
S471-1147 Screening compound: N-{[2-(trifluoromethyl)phenyl]methyl}-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-1147
N-{[2-(trifluoromethyl)phenyl]methyl}-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

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

S471-1147

Molecular Formula

C19H18F6N4O (C19 H18 F6 N4 O)

Compound Name

N-{[2-(trifluoromethyl)phenyl]methyl}-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

IUPAC name

N-{[2-(trifluoromethyl)phenyl]methyl}-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1cc(C(F)(F)F)ncn1)NCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H18F6N4O/c20-18(21,22)14-4-2-1-3-13(14)10-26-17(30)12-5-7-29(8-6-12)16-9-15(19(23,24)25)27-11-28-16/h1-4,9,11-12H,5-8,10H2,(H,26,30)

InChI Key

VOKFWDCVSOYIOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.30

Polar Surface Area

47.378

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with S471-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-1147?
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What is the minimum amount of S471-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-1147
  • 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 S471-1147 available by request