J031-1973 Screening compound: N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

J031-1973 Screening compound: N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
J031-1973 Screening compound: N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1973
N-(4-bromo-3-methylphenyl)-8-methoxy-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

J031-1973

Molecular Formula

C18H18BrNO4 (C18 H18 BrNO4)

Compound Name

N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-8-methoxy-34-dihydro-2H-15-benzodioxepine-7-carboxamide

SMILES

Cc(cc(cc1)NC(c(cc2OCCCOc2c2)c2OC)=O)c1Br

InChI

InChI=1S/C18H18BrNO4/c1-11-8-12(4-5-14(11)19)20-18(21)13-9-16-17(10-15(13)22-2)24-7-3-6-23-16/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)

InChI Key

HCULWOVVLVXNAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.10

Polar Surface Area

47.114

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

J031-1973 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J031-1973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1973?
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What is the minimum amount of J031-1973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1973
  • 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 J031-1973 available by request