S471-1054 Screening compound: N-(4-fluorophenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

S471-1054 Screening compound: N-(4-fluorophenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
S471-1054 Screening compound: N-(4-fluorophenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-1054
N-(4-fluorophenyl)-1-[2-methyl-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

S471-1054

Molecular Formula

C18H18F4N4O (C18 H18 F4 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(C(F)(F)F)cc(N(CC2)CCC2C(Nc(cc2)ccc2F)=O)n1

InChI

InChI=1S/C18H18F4N4O/c1-11-23-15(18(20,21)22)10-16(24-11)26-8-6-12(7-9-26)17(27)25-14-4-2-13(19)3-5-14/h2-5,10,12H,6-9H2,1H3,(H,25,27)

InChI Key

OAXYGWUGQZRJKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-3.83

Polar Surface Area

44.430

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with S471-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-1054?
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What is the minimum amount of S471-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-1054
  • 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 S471-1054 available by request