F625-0473 Screening compound: 2-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(piperidin-1-yl)ethan-1-one

F625-0473 Screening compound: 2-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(piperidin-1-yl)ethan-1-one
F625-0473 Screening compound: 2-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F625-0473
2-{5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(piperidin-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

F625-0473

Molecular Formula

C21H33N3O3S2 (C21 H33 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(s1)ccc1S(N(CC1)CCN1C1CCCCC1)(=O)=O)N1CCCCC1

InChI

InChI=1S/C21H33N3O3S2/c25-20(23-11-5-2-6-12-23)17-19-9-10-21(28-19)29(26,27)24-15-13-22(14-16-24)18-7-3-1-4-8-18/h9-10,18H,1-8,11-17H2

InChI Key

WCOHIEIFTRJTFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27179715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.64

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

3.235

Distribution Coefficient, logD

3.124

Water Solubility, LogSw

-3.31

Polar Surface Area

52.182

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.20

F625-0473 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F625-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F625-0473?
Check Price and Availability of F625-0473, 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 F625-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F625-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F625-0473
  • 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 F625-0473 available by request