L831-0034 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide

L831-0034 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide
L831-0034 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L831-0034
N-(5-chloro-2,4-dimethoxyphenyl)-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

L831-0034

Molecular Formula

C19H19ClN2O5 (C19 H19 ClN2 O5)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)acetamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-(4-oxo-2345-tetrahydro-15-benzoxazepin-3-yl)acetamide

SMILES

COc(c(NC(CC(COc(cccc1)c1N1)C1=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C19H19ClN2O5/c1-25-16-9-17(26-2)14(8-12(16)20)21-18(23)7-11-10-27-15-6-4-3-5-13(15)22-19(11)24/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,23)(H,22,24)/t11-/m0/s1

InChI Key

STWOYSNEWJONEJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD27478808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-3.24

Polar Surface Area

71.337

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

L831-0034 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L831-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L831-0034?
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What is the minimum amount of L831-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L831-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L831-0034
  • 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 L831-0034 available by request