Y031-1162 Screening compound: 1-[(4-chlorophenyl)methanesulfonyl]azepane

Y031-1162 Screening compound: 1-[(4-chlorophenyl)methanesulfonyl]azepane
Y031-1162 Screening compound: 1-[(4-chlorophenyl)methanesulfonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1162
1-[(4-chlorophenyl)methanesulfonyl]azepane

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

Y031-1162

Molecular Formula

C13H18ClNO2S (C13 H18 ClNO2 S)

Compound Name

1-[(4-chlorophenyl)methanesulfonyl]azepane

IUPAC name

1-[(4-chlorophenyl)methanesulfonyl]azepane

SMILES

O=S(Cc(cc1)ccc1Cl)(N1CCCCCC1)=O

InChI

InChI=1S/C13H18ClNO2S/c14-13-7-5-12(6-8-13)11-18(16,17)15-9-3-1-2-4-10-15/h5-8H,1-4,9-11H2

InChI Key

IERLLARUWYGJQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04111987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

2.977

Water Solubility, LogSw

-3.43

Polar Surface Area

32.175

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

-6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

Y031-1162 in Drug Discovery

Included in Screening Libraries

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

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 Y031-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1162?
Check Price and Availability of Y031-1162, 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 Y031-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1162
  • 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 Y031-1162 available by request