4577-1431 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

4577-1431 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
4577-1431 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1431
2-[(4-chlorophenyl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-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

4577-1431

Molecular Formula

C19H20ClFN2OS (C19 H20 ClFN2 OS)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

SMILES

CC(C(N(CC1)CCN1c(cccc1)c1F)=O)Sc(cc1)ccc1Cl

InChI

InChI=1S/C19H20ClFN2OS/c1-14(25-16-8-6-15(20)7-9-16)19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3/t14-/m0/s1

InChI Key

MQRPXMPINOBVFN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01567712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.91

Polar Surface Area

19.846

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

4577-1431 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4577-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1431?
Check Price and Availability of 4577-1431, 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 4577-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1431
  • 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 4577-1431 available by request