F625-0120 Screening compound: 2-{5-[(4-benzylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one

F625-0120 Screening compound: 2-{5-[(4-benzylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one
F625-0120 Screening compound: 2-{5-[(4-benzylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F625-0120
2-{5-[(4-benzylpiperazin-1-yl)sulfonyl]thiophen-2-yl}-1-(pyrrolidin-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

F625-0120

Molecular Formula

C21H27N3O3S2 (C21 H27 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(s1)ccc1S(N1CCN(Cc2ccccc2)CC1)(=O)=O)N1CCCC1

InChI

InChI=1S/C21H27N3O3S2/c25-20(23-10-4-5-11-23)16-19-8-9-21(28-19)29(26,27)24-14-12-22(13-15-24)17-18-6-2-1-3-7-18/h1-3,6-9H,4-5,10-17H2

InChI Key

ZOZOLERLAHYLSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27179669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-2.88

Polar Surface Area

52.995

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

F625-0120 in Drug Discovery

Included in Screening Libraries

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 F625-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F625-0120?
Check Price and Availability of F625-0120, 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 F625-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F625-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F625-0120
  • 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 F625-0120 available by request