J031-1118 Screening compound: 4-(benzyloxy)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide

J031-1118 Screening compound: 4-(benzyloxy)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide
J031-1118 Screening compound: 4-(benzyloxy)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1118
4-(benzyloxy)-N-[(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

J031-1118

Molecular Formula

C24H23NO4 (C24 H23 NO4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1OCc1ccccc1)NCc(cc1)cc2c1OCCCO2

InChI

InChI=1S/C24H23NO4/c26-24(25-16-19-7-12-22-23(15-19)28-14-4-13-27-22)20-8-10-21(11-9-20)29-17-18-5-2-1-3-6-18/h1-3,5-12,15H,4,13-14,16-17H2,(H,25,26)

InChI Key

DULFAEPKVRBEHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.85

Polar Surface Area

48.033

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J031-1118 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with J031-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1118?
Check Price and Availability of J031-1118, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J031-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1118
  • 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 J031-1118 available by request