J031-2356 Screening compound: 2-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide

J031-2356 Screening compound: 2-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
J031-2356 Screening compound: 2-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-2356
2-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]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

J031-2356

Molecular Formula

C20H23ClN2O5S (C20 H23 ClN2 O5 S)

Compound Name

2-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide

IUPAC name

2-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[(34-dihydro-2H-15-benzodioxepin-7-yl)methyl]acetamide

SMILES

CS(N(CC(NCc(cc1)cc2c1OCCCO2)=O)Cc(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C20H23ClN2O5S/c1-29(25,26)23(13-16-5-2-3-6-17(16)21)14-20(24)22-12-15-7-8-18-19(11-15)28-10-4-9-27-18/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,22,24)

InChI Key

AUTSGHJSAXSCBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.237

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-3.25

Polar Surface Area

71.732

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J031-2356 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J031-2356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-2356?
Check Price and Availability of J031-2356, 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 J031-2356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-2356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-2356
  • 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 J031-2356 available by request