Y031-0562 Screening compound: N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-2-phenylbutanamide

Y031-0562 Screening compound: N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-2-phenylbutanamide
Y031-0562 Screening compound: N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0562
N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-2-phenylbutanamide

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

Y031-0562

Molecular Formula

C21H26N2O4S (C21 H26 N2 O4 S)

Compound Name

N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-2-phenylbutanamide

IUPAC name

N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-2-phenylbutanamide

SMILES

CCC(C(Nc(cc1)ccc1S(NCC1OCCC1)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C21H26N2O4S/c1-2-20(16-7-4-3-5-8-16)21(24)23-17-10-12-19(13-11-17)28(25,26)22-15-18-9-6-14-27-18/h3-5,7-8,10-13,18,20,22H,2,6,9,14-15H2,1H3,(H,23,24)

InChI Key

CVBPOAVYXGFBTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.55

Polar Surface Area

73.742

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

Y031-0562 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y031-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0562?
Check Price and Availability of Y031-0562, 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 Y031-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0562
  • 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 Y031-0562 available by request