M400-0140 Screening compound: N~7~-(2-fluorobenzyl)-4-(2-hydroxy-3-methoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M400-0140 Screening compound: N~7~-(2-fluorobenzyl)-4-(2-hydroxy-3-methoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M400-0140 Screening compound: N~7~-(2-fluorobenzyl)-4-(2-hydroxy-3-methoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0140
N~7~-(2-fluorobenzyl)-4-(2-hydroxy-3-methoxybenzyl)-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

M400-0140

Molecular Formula

C25H25FN2O4 (C25 H25 FN2 O4)

Compound Name

N~7~-(2-fluorobenzyl)-4-(2-hydroxy-3-methoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

N-[(2-fluorophenyl)methyl]-4-[(2-hydroxy-3-methoxyphenyl)methyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

COc1cccc(CN2Cc(cc(cc3)C(NCc(cccc4)c4F)=O)c3OCC2)c1O

InChI

InChI=1S/C25H25FN2O4/c1-31-23-8-4-6-19(24(23)29)15-28-11-12-32-22-10-9-17(13-20(22)16-28)25(30)27-14-18-5-2-3-7-21(18)26/h2-10,13,29H,11-12,14-16H2,1H3,(H,27,30)

InChI Key

PLUDCVYSZOJZLA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-4.24

Polar Surface Area

59.438

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

M400-0140 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M400-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0140?
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What is the minimum amount of M400-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0140
  • 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 M400-0140 available by request