J031-2146 Screening compound: 3,4-dimethyl-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide

J031-2146 Screening compound: 3,4-dimethyl-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide
J031-2146 Screening compound: 3,4-dimethyl-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-2146
3,4-dimethyl-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide

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

J031-2146

Molecular Formula

C20H23NO3 (C20 H23 NO3)

Compound Name

3,4-dimethyl-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide

IUPAC name

34-dimethyl-N-[(8-methyl-34-dihydro-2H-15-benzodioxepin-7-yl)methyl]benzamide

SMILES

Cc(cc1)c(C)cc1C(NCc1c(C)cc2OCCCOc2c1)=O

InChI

InChI=1S/C20H23NO3/c1-13-5-6-16(9-14(13)2)20(22)21-12-17-11-19-18(10-15(17)3)23-7-4-8-24-19/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,21,22)

InChI Key

YQZYTEVCHJJEID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.50

Polar Surface Area

40.806

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J031-2146 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J031-2146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-2146?
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What is the minimum amount of J031-2146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-2146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-2146
  • 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 J031-2146 available by request