L629-0697 Screening compound: 2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-(4-cyclohexylpiperazin-1-yl)ethan-1-one

L629-0697 Screening compound: 2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-(4-cyclohexylpiperazin-1-yl)ethan-1-one
L629-0697 Screening compound: 2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-(4-cyclohexylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L629-0697
2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-(4-cyclohexylpiperazin-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

L629-0697

Molecular Formula

C21H32ClN3O3S2 (C21 H32 ClN3 O3 S2)

Compound Name

2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-(4-cyclohexylpiperazin-1-yl)ethan-1-one

IUPAC name

2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-(4-cyclohexylpiperazin-1-yl)ethan-1-one

SMILES

O=C(CC(CC1)CCN1S(c(s1)ccc1Cl)(=O)=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C21H32ClN3O3S2/c22-19-6-7-21(29-19)30(27,28)25-10-8-17(9-11-25)16-20(26)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-7,17-18H,1-5,8-16H2

InChI Key

HJZPWDAUKCIWEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27466462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-4.21

Polar Surface Area

52.182

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.20

L629-0697 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L629-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L629-0697?
Check Price and Availability of L629-0697, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L629-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L629-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L629-0697
  • 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 L629-0697 available by request