J031-1377 Screening compound: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-propanoyl-1H-indol-1-yl)acetamide

J031-1377 Screening compound: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-propanoyl-1H-indol-1-yl)acetamide
J031-1377 Screening compound: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-propanoyl-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1377
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-propanoyl-1H-indol-1-yl)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

J031-1377

Molecular Formula

C23H24N2O4 (C23 H24 N2 O4)

Compound Name

N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-propanoyl-1H-indol-1-yl)acetamide

IUPAC name

N-[(34-dihydro-2H-15-benzodioxepin-7-yl)methyl]-2-(3-propanoyl-1H-indol-1-yl)acetamide

SMILES

CCC(c1cn(CC(NCc(cc2)cc3c2OCCCO3)=O)c2c1cccc2)=O

InChI

InChI=1S/C23H24N2O4/c1-2-20(26)18-14-25(19-7-4-3-6-17(18)19)15-23(27)24-13-16-8-9-21-22(12-16)29-11-5-10-28-21/h3-4,6-9,12,14H,2,5,10-11,13,15H2,1H3,(H,24,27)

InChI Key

WQZYDGGUOSPUOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-2.87

Polar Surface Area

55.843

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

J031-1377 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J031-1377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1377?
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What is the minimum amount of J031-1377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1377
  • 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 J031-1377 available by request