C085-1717 Screening compound: N-(4-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide

C085-1717 Screening compound: N-(4-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide
C085-1717 Screening compound: N-(4-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-1717
N-(4-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide

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

C085-1717

Molecular Formula

C19H22FN3O3S (C19 H22 FN3 O3 S)

Compound Name

N-(4-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide

IUPAC name

N-(4-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide

SMILES

CCC(Nc(cc1)ccc1S(N(CC1)CCN1c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C19H22FN3O3S/c1-2-19(24)21-16-5-9-18(10-6-16)27(25,26)23-13-11-22(12-14-23)17-7-3-15(20)4-8-17/h3-10H,2,11-14H2,1H3,(H,21,24)

InChI Key

CYXDWBPFJLDJNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03998398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.54

Polar Surface Area

58.359

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C085-1717 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C085-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-1717?
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What is the minimum amount of C085-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-1717
  • 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 C085-1717 available by request