S471-0159 Screening compound: 2-(3-methoxyphenyl)-1-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

S471-0159 Screening compound: 2-(3-methoxyphenyl)-1-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
S471-0159 Screening compound: 2-(3-methoxyphenyl)-1-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0159
2-(3-methoxyphenyl)-1-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

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

S471-0159

Molecular Formula

C19H21F3N4O2 (C19 H21 F3 N4 O2)

Compound Name

2-(3-methoxyphenyl)-1-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(3-methoxyphenyl)-1-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

SMILES

Cc1nc(N(CC2)CCN2C(Cc2cc(OC)ccc2)=O)cc(C(F)(F)F)n1

InChI

InChI=1S/C19H21F3N4O2/c1-13-23-16(19(20,21)22)12-17(24-13)25-6-8-26(9-7-25)18(27)11-14-4-3-5-15(10-14)28-2/h3-5,10,12H,6-9,11H2,1-2H3

InChI Key

DURZWTYGVIIXPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.72

Polar Surface Area

44.811

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with S471-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0159?
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What is the minimum amount of S471-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0159
  • 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 S471-0159 available by request