Y031-0629 Screening compound: N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-3-phenylbutanamide

Y031-0629 Screening compound: N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-3-phenylbutanamide
Y031-0629 Screening compound: N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-3-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0629
N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-3-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

Y031-0629

Molecular Formula

C21H26N2O4S (C21 H26 N2 O4 S)

Compound Name

N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-3-phenylbutanamide

IUPAC name

N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)-3-phenylbutanamide

SMILES

CC(CC(Nc(cc1)ccc1S(NCC1OCCC1)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C21H26N2O4S/c1-16(17-6-3-2-4-7-17)14-21(24)23-18-9-11-20(12-10-18)28(25,26)22-15-19-8-5-13-27-19/h2-4,6-7,9-12,16,19,22H,5,8,13-15H2,1H3,(H,23,24)

InChI Key

UJVXFANTWQJGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06010827

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

3.467

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-3.77

Polar Surface Area

73.529

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

Y031-0629 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0629?
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What is the minimum amount of Y031-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0629
  • 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 Y031-0629 available by request