Y031-2116 Screening compound: 1-[(2-chlorophenyl)methanesulfonyl]azepane

Y031-2116 Screening compound: 1-[(2-chlorophenyl)methanesulfonyl]azepane
Y031-2116 Screening compound: 1-[(2-chlorophenyl)methanesulfonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2116
1-[(2-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

Y031-2116

Molecular Formula

C13H18ClNO2S (C13 H18 ClNO2 S)

Compound Name

1-[(2-chlorophenyl)methanesulfonyl]azepane

IUPAC name

1-[(2-chlorophenyl)methanesulfonyl]azepane

SMILES

O=S(Cc(cccc1)c1Cl)(N1CCCCCC1)=O

InChI

InChI=1S/C13H18ClNO2S/c14-13-8-4-3-7-12(13)11-18(16,17)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2

InChI Key

XUNHCCVVLFABKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07068125

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

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.47

Polar Surface Area

32.175

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

Y031-2116 in Drug Discovery

Included in Screening Libraries

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 Y031-2116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2116?
Check Price and Availability of Y031-2116, 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 Y031-2116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2116
  • 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 Y031-2116 available by request