6466-0834 Screening compound: 1-(2-ethylpiperidin-1-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

6466-0834 Screening compound: 1-(2-ethylpiperidin-1-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
6466-0834 Screening compound: 1-(2-ethylpiperidin-1-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0834
1-(2-ethylpiperidin-1-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}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

6466-0834

Molecular Formula

C18H20F3N3O2S (C18 H20 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(CCCC1)N1C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C18H20F3N3O2S/c1-2-12-6-3-4-8-24(12)16(25)11-27-17-22-13(14-7-5-9-26-14)10-15(23-17)18(19,20)21/h5,7,9-10,12H,2-4,6,8,11H2,1H3/t12-/m0/s1

InChI Key

WDUGIOHUIFLAIC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02737302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.14

Polar Surface Area

41.606

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

6466-0834 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6466-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0834?
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What is the minimum amount of 6466-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0834
  • 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 6466-0834 available by request