Y050-1735 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(3,4-dichlorophenyl)methyl]methanesulfonamido}acetamide

Y050-1735 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(3,4-dichlorophenyl)methyl]methanesulfonamido}acetamide
Y050-1735 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(3,4-dichlorophenyl)methyl]methanesulfonamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1735
N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(3,4-dichlorophenyl)methyl]methanesulfonamido}acetamide

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

Y050-1735

Molecular Formula

C17H16Cl2N2O5S (C17 H16 Cl2 N2 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{N-[(3,4-dichlorophenyl)methyl]methanesulfonamido}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{N-[(34-dichlorophenyl)methyl]methanesulfonamido}acetamide

SMILES

CS(N(CC(Nc(cc1)cc2c1OCO2)=O)Cc(cc1)cc(Cl)c1Cl)(=O)=O

InChI

InChI=1S/C17H16Cl2N2O5S/c1-27(23,24)21(8-11-2-4-13(18)14(19)6-11)9-17(22)20-12-3-5-15-16(7-12)26-10-25-15/h2-7H,8-10H2,1H3,(H,20,22)

InChI Key

JPOAZEUSAZCDBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.91

Polar Surface Area

71.371

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y050-1735 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y050-1735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1735?
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What is the minimum amount of Y050-1735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1735
  • 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 Y050-1735 available by request