J031-1349 Screening compound: 2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide

J031-1349 Screening compound: 2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide
J031-1349 Screening compound: 2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1349
2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]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

J031-1349

Molecular Formula

C26H28N2O4 (C26 H28 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(c(cc1)cc2c1OCCCO2)NC(Cn1c(cccc2)c2c(C(C2CC2)=O)c1)=O

InChI

InChI=1S/C26H28N2O4/c1-2-21(18-10-11-23-24(14-18)32-13-5-12-31-23)27-25(29)16-28-15-20(26(30)17-8-9-17)19-6-3-4-7-22(19)28/h3-4,6-7,10-11,14-15,17,21H,2,5,8-9,12-13,16H2,1H3,(H,27,29)/t21-/m0/s1

InChI Key

KWVKUAIPLSSXNX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27220959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-3.75

Polar Surface Area

56.217

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

J031-1349 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GABA Library (7115 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J031-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1349?
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What is the minimum amount of J031-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1349
  • 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 J031-1349 available by request