J031-0979 Screening compound: 4-(benzyloxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]benzamide

J031-0979 Screening compound: 4-(benzyloxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]benzamide
J031-0979 Screening compound: 4-(benzyloxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-0979
4-(benzyloxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]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

J031-0979

Molecular Formula

C25H25NO4 (C25 H25 NO4)

Compound Name

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

IUPAC name

4-(benzyloxy)-N-[1-(34-dihydro-2H-15-benzodioxepin-7-yl)ethyl]benzamide

SMILES

CC(c(cc1)cc2c1OCCCO2)NC(c(cc1)ccc1OCc1ccccc1)=O

InChI

InChI=1S/C25H25NO4/c1-18(21-10-13-23-24(16-21)29-15-5-14-28-23)26-25(27)20-8-11-22(12-9-20)30-17-19-6-3-2-4-7-19/h2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,27)/t18-/m0/s1

InChI Key

XWGAWNYRSJHOBB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27220847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

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

4.097

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.49

Polar Surface Area

47.197

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

J031-0979 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with J031-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-0979?
Check Price and Availability of J031-0979, 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 J031-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-0979
  • 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 J031-0979 available by request