Y031-1167 Screening compound: 1-(4-chlorophenyl)-N,N-dimethylmethanesulfonamide

Y031-1167 Screening compound: 1-(4-chlorophenyl)-N,N-dimethylmethanesulfonamide
Y031-1167 Screening compound: 1-(4-chlorophenyl)-N,N-dimethylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1167
1-(4-chlorophenyl)-N,N-dimethylmethanesulfonamide

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

Y031-1167

Molecular Formula

C9H12ClNO2S (C9 H12 ClNO2 S)

Compound Name

1-(4-chlorophenyl)-N,N-dimethylmethanesulfonamide

IUPAC name

1-(4-chlorophenyl)-NN-dimethylmethanesulfonamide

SMILES

CN(C)S(Cc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C9H12ClNO2S/c1-11(2)14(12,13)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3

InChI Key

FZZWXOCIIJTWAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.72

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

1.658

Distribution Coefficient, logD

1.658

Water Solubility, LogSw

-2.50

Polar Surface Area

33.796

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

-6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y031-1167 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1167?
Check Price and Availability of Y031-1167, 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 Y031-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1167
  • 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 Y031-1167 available by request