Y031-0774 Screening compound: N-cyclohexyl-4-methanesulfonamidobenzene-1-sulfonamide

Y031-0774 Screening compound: N-cyclohexyl-4-methanesulfonamidobenzene-1-sulfonamide
Y031-0774 Screening compound: N-cyclohexyl-4-methanesulfonamidobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0774
N-cyclohexyl-4-methanesulfonamidobenzene-1-sulfonamide

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

Y031-0774

Molecular Formula

C13H20N2O4S2 (C13 H20 N2 O4 S2)

Compound Name

N-cyclohexyl-4-methanesulfonamidobenzene-1-sulfonamide

IUPAC name

N-cyclohexyl-4-methanesulfonamidobenzene-1-sulfonamide

SMILES

CS(Nc(cc1)ccc1S(NC1CCCCC1)(=O)=O)(=O)=O

InChI

InChI=1S/C13H20N2O4S2/c1-20(16,17)14-12-7-9-13(10-8-12)21(18,19)15-11-5-3-2-4-6-11/h7-11,14-15H,2-6H2,1H3

InChI Key

MTEGPNRCVZWZNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06152975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.49

Polar Surface Area

83.803

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

Y031-0774 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0774?
Check Price and Availability of Y031-0774, 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 Y031-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0774
  • 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 Y031-0774 available by request