Y032-3954 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-1-(1-pyrrolidinyl)-1-propanone

Y032-3954 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-1-(1-pyrrolidinyl)-1-propanone
Y032-3954 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-1-(1-pyrrolidinyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3954
3-[(4-chlorophenyl)sulfanyl]-1-(1-pyrrolidinyl)-1-propanone

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

Y032-3954

Molecular Formula

C13H16ClNOS (C13 H16 ClNOS)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-1-(1-pyrrolidinyl)-1-propanone

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCSc(cc1)ccc1Cl)N1CCCC1

InChI

InChI=1S/C13H16ClNOS/c14-11-3-5-12(6-4-11)17-10-7-13(16)15-8-1-2-9-15/h3-6H,1-2,7-10H2

InChI Key

GRGPPZYBWBWFQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-3.69

Polar Surface Area

16.725

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Y032-3954 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y032-3954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3954?
Check Price and Availability of Y032-3954, 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 Y032-3954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3954
  • 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 Y032-3954 available by request