M400-0142 Screening compound: 4-butyl-N-(2-fluorobenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M400-0142 Screening compound: 4-butyl-N-(2-fluorobenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M400-0142 Screening compound: 4-butyl-N-(2-fluorobenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0142
4-butyl-N-(2-fluorobenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

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

M400-0142

Molecular Formula

C21H25FN2O2 (C21 H25 FN2 O2)

Compound Name

4-butyl-N-(2-fluorobenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

4-butyl-N-[(2-fluorophenyl)methyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

CCCCN1Cc(cc(cc2)C(NCc(cccc3)c3F)=O)c2OCC1

InChI

InChI=1S/C21H25FN2O2/c1-2-3-10-24-11-12-26-20-9-8-16(13-18(20)15-24)21(25)23-14-17-6-4-5-7-19(17)22/h4-9,13H,2-3,10-12,14-15H2,1H3,(H,23,25)

InChI Key

JXEHPOWDIKLGLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.92

Polar Surface Area

36.578

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M400-0142 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M400-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0142?
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What is the minimum amount of M400-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0142
  • 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 M400-0142 available by request