J031-1341 Screening compound: 2-(3-acetyl-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide

J031-1341 Screening compound: 2-(3-acetyl-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
J031-1341 Screening compound: 2-(3-acetyl-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1341
2-(3-acetyl-1H-indol-1-yl)-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

J031-1341

Molecular Formula

C22H22N2O4 (C22 H22 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-15(25)18-13-24(19-6-3-2-5-17(18)19)14-22(26)23-12-16-7-8-20-21(11-16)28-10-4-9-27-20/h2-3,5-8,11,13H,4,9-10,12,14H2,1H3,(H,23,26)

InChI Key

MMCKPCDEGRHTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.92

Polar Surface Area

56.423

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J031-1341 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J031-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1341?
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What is the minimum amount of J031-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1341
  • 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 J031-1341 available by request