J031-0407 Screening compound: N-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

J031-0407 Screening compound: N-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
J031-0407 Screening compound: N-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-0407
N-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

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

J031-0407

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

N-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

IUPAC name

N-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-34-dihydro-2H-15-benzodioxepine-7-carboxamide

SMILES

Cc1cc(cc(cc2)NC(c(cc3)cc4c3OCCCO4)=O)c2n1CCOC

InChI

InChI=1S/C22H24N2O4/c1-15-12-17-13-18(5-6-19(17)24(15)8-11-26-2)23-22(25)16-4-7-20-21(14-16)28-10-3-9-27-20/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,25)

InChI Key

AKNFMHOKVNEFRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.24

Polar Surface Area

49.501

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

J031-0407 in Drug Discovery

Included in Screening Libraries

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:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J031-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-0407?
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What is the minimum amount of J031-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-0407
  • 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 J031-0407 available by request