L831-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide

L831-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide
L831-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L831-0075
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)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

L831-0075

Molecular Formula

C19H18N2O5 (C19 H18 N2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(4-oxo-2345-tetrahydro-15-benzoxazepin-3-yl)acetamide

SMILES

O=C(CC(COc(cccc1)c1N1)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H18N2O5/c22-18(20-9-12-5-6-16-17(7-12)26-11-25-16)8-13-10-24-15-4-2-1-3-14(15)21-19(13)23/h1-7,13H,8-11H2,(H,20,22)(H,21,23)/t13-/m0/s1

InChI Key

DWQASKRMZHBNNO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27478817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.83

Polar Surface Area

75.212

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

L831-0075 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with L831-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L831-0075?
Check Price and Availability of L831-0075, 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 L831-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L831-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L831-0075
  • 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 L831-0075 available by request