F744-0438 Screening compound: 1-(4-chlorophenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}cyclopentane-1-carboxamide

F744-0438 Screening compound: 1-(4-chlorophenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}cyclopentane-1-carboxamide
F744-0438 Screening compound: 1-(4-chlorophenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F744-0438
1-(4-chlorophenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}cyclopentane-1-carboxamide

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

F744-0438

Molecular Formula

C25H32ClN3O3S (C25 H32 ClN3 O3 S)

Compound Name

1-(4-chlorophenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}cyclopentane-1-carboxamide

IUPAC name

1-(4-chlorophenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}cyclopentane-1-carboxamide

SMILES

Cc(cc1)ccc1S(N1CCN(CCNC(C2(CCCC2)c(cc2)ccc2Cl)=O)CC1)(=O)=O

InChI

InChI=1S/C25H32ClN3O3S/c1-20-4-10-23(11-5-20)33(31,32)29-18-16-28(17-19-29)15-14-27-24(30)25(12-2-3-13-25)21-6-8-22(26)9-7-21/h4-11H,2-3,12-19H2,1H3,(H,27,30)

InChI Key

KWAFLBAVDHLCHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11987598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.46

Polar Surface Area

60.281

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

F744-0438 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F744-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F744-0438?
Check Price and Availability of F744-0438, 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 F744-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F744-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F744-0438
  • 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 F744-0438 available by request