8610-0340 Screening compound: 1-ethyl-4-{3,5,6-trifluoro-4-[2-(piperidin-1-yl)ethanesulfonyl]pyridin-2-yl}piperazine

8610-0340 Screening compound: 1-ethyl-4-{3,5,6-trifluoro-4-[2-(piperidin-1-yl)ethanesulfonyl]pyridin-2-yl}piperazine
8610-0340 Screening compound: 1-ethyl-4-{3,5,6-trifluoro-4-[2-(piperidin-1-yl)ethanesulfonyl]pyridin-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0340
1-ethyl-4-{3,5,6-trifluoro-4-[2-(piperidin-1-yl)ethanesulfonyl]pyridin-2-yl}piperazine

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

8610-0340

Molecular Formula

C18H27F3N4O2S (C18 H27 F3 N4 O2 S)

Compound Name

1-ethyl-4-{3,5,6-trifluoro-4-[2-(piperidin-1-yl)ethanesulfonyl]pyridin-2-yl}piperazine

IUPAC name

1-ethyl-4-{356-trifluoro-4-[2-(piperidin-1-yl)ethanesulfonyl]pyridin-2-yl}piperazine

SMILES

CCN(CC1)CCN1c(nc(c(F)c1S(CCN2CCCCC2)(=O)=O)F)c1F

InChI

InChI=1S/C18H27F3N4O2S/c1-2-23-8-10-25(11-9-23)18-15(20)16(14(19)17(21)22-18)28(26,27)13-12-24-6-4-3-5-7-24/h2-13H2,1H3

InChI Key

KOPKJBKZLJVYFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-2.39

Polar Surface Area

51.176

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

8610-0340 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8610-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0340?
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What is the minimum amount of 8610-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0340
  • 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 8610-0340 available by request