J031-1992 Screening compound: 2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide

J031-1992 Screening compound: 2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
J031-1992 Screening compound: 2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1992
2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[(8-methyl-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

J031-1992

Molecular Formula

C25H26N2O4 (C25 H26 N2 O4)

Compound Name

2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide

IUPAC name

2-(3-cyclopropanecarbonyl-1H-indol-1-yl)-N-[(8-methyl-34-dihydro-2H-15-benzodioxepin-7-yl)methyl]acetamide

SMILES

Cc1c(CNC(Cn2c(cccc3)c3c(C(C3CC3)=O)c2)=O)cc2OCCCOc2c1

InChI

InChI=1S/C25H26N2O4/c1-16-11-22-23(31-10-4-9-30-22)12-18(16)13-26-24(28)15-27-14-20(25(29)17-7-8-17)19-5-2-3-6-21(19)27/h2-3,5-6,11-12,14,17H,4,7-10,13,15H2,1H3,(H,26,28)

InChI Key

OFNIGEAFPDWKQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

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

3.225

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.19

Polar Surface Area

56.586

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

J031-1992 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J031-1992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1992?
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What is the minimum amount of J031-1992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1992
  • 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 J031-1992 available by request