J031-1339 Screening compound: 2-(3-benzoyl-1H-indol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide

J031-1339 Screening compound: 2-(3-benzoyl-1H-indol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
J031-1339 Screening compound: 2-(3-benzoyl-1H-indol-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1339
2-(3-benzoyl-1H-indol-1-yl)-N-[(8-methoxy-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

J031-1339

Molecular Formula

C28H26N2O5 (C28 H26 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(Cn2c(cccc3)c3c(C(c3ccccc3)=O)c2)=O)cc2OCCCOc2c1

InChI

InChI=1S/C28H26N2O5/c1-33-24-15-26-25(34-12-7-13-35-26)14-20(24)16-29-27(31)18-30-17-22(21-10-5-6-11-23(21)30)28(32)19-8-3-2-4-9-19/h2-6,8-11,14-15,17H,7,12-13,16,18H2,1H3,(H,29,31)

InChI Key

WTEPFTTXOJKRAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.666

Distribution Coefficient, logD

3.666

Water Solubility, LogSw

-3.83

Polar Surface Area

63.694

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

J031-1339 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • 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 J031-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1339?
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What is the minimum amount of J031-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1339
  • 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 J031-1339 available by request