S471-0592 Screening compound: 2-(3-fluorophenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide

S471-0592 Screening compound: 2-(3-fluorophenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
S471-0592 Screening compound: 2-(3-fluorophenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0592
2-(3-fluorophenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide

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

S471-0592

Molecular Formula

C19H20F4N4O (C19 H20 F4 N4 O)

Compound Name

2-(3-fluorophenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide

IUPAC name

2-(3-fluorophenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide

SMILES

Cc1nc(C(F)(F)F)cc(N(CC2)CCC2NC(Cc2cccc(F)c2)=O)n1

InChI

InChI=1S/C19H20F4N4O/c1-12-24-16(19(21,22)23)11-17(25-12)27-7-5-15(6-8-27)26-18(28)10-13-3-2-4-14(20)9-13/h2-4,9,11,15H,5-8,10H2,1H3,(H,26,28)

InChI Key

CTKFJSLFGGALKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.68

Polar Surface Area

45.072

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with S471-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0592?
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What is the minimum amount of S471-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0592
  • 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 S471-0592 available by request