Y031-0398 Screening compound: 4-METHYL-N-(4-{[(OXOLAN-2-YL)METHYL]SULFAMOYL}PHENYL)BENZENE-1-SULFONAMIDE

Y031-0398 Screening compound: 4-METHYL-N-(4-{[(OXOLAN-2-YL)METHYL]SULFAMOYL}PHENYL)BENZENE-1-SULFONAMIDE
Y031-0398 Screening compound: 4-METHYL-N-(4-{[(OXOLAN-2-YL)METHYL]SULFAMOYL}PHENYL)BENZENE-1-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0398
4-METHYL-N-(4-{[(OXOLAN-2-YL)METHYL]SULFAMOYL}PHENYL)BENZENE-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

Y031-0398

Molecular Formula

C18H22N2O5S2 (C18 H22 N2 O5 S2)

Compound Name

4-METHYL-N-(4-{[(OXOLAN-2-YL)METHYL]SULFAMOYL}PHENYL)BENZENE-1-SULFONAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1S(Nc(cc1)ccc1S(NCC1OCCC1)(=O)=O)(=O)=O

InChI

InChI=1S/C18H22N2O5S2/c1-14-4-8-18(9-5-14)27(23,24)20-15-6-10-17(11-7-15)26(21,22)19-13-16-3-2-12-25-16/h4-11,16,19-20H,2-3,12-13H2,1H3/t16-/m1/s1

InChI Key

ZULVZDBRHBQOIV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05882693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

1.648

Water Solubility, LogSw

-3.20

Polar Surface Area

91.301

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.00

Y031-0398 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0398?
Check Price and Availability of Y031-0398, 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 Y031-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0398
  • 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 Y031-0398 available by request