6466-0835 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

6466-0835 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
6466-0835 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0835
2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperidin-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

6466-0835

Molecular Formula

C17H18F3N3O2S (C17 H18 F3 N3 O2 S)

Compound Name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C17H18F3N3O2S/c1-11-4-6-23(7-5-11)15(24)10-26-16-21-12(13-3-2-8-25-13)9-14(22-16)17(18,19)20/h2-3,8-9,11H,4-7,10H2,1H3

InChI Key

CYKPWNNUDUEQJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-3.84

Polar Surface Area

41.959

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with 6466-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0835?
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What is the minimum amount of 6466-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0835
  • 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 6466-0835 available by request