M400-0267 Screening compound: N-benzyl-4-(2-cyclopropylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M400-0267 Screening compound: N-benzyl-4-(2-cyclopropylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M400-0267 Screening compound: N-benzyl-4-(2-cyclopropylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0267
N-benzyl-4-(2-cyclopropylacetyl)-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

M400-0267

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

N-benzyl-4-(2-cyclopropylacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

N-benzyl-4-(2-cyclopropylacetyl)-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

O=C(CC1CC1)N1Cc(cc(cc2)C(NCc3ccccc3)=O)c2OCC1

InChI

InChI=1S/C22H24N2O3/c25-21(12-16-6-7-16)24-10-11-27-20-9-8-18(13-19(20)15-24)22(26)23-14-17-4-2-1-3-5-17/h1-5,8-9,13,16H,6-7,10-12,14-15H2,(H,23,26)

InChI Key

UBYSBMFNSOIPLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

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

3.041

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.39

Polar Surface Area

49.240

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M400-0267 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with M400-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0267?
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What is the minimum amount of M400-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0267
  • 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 M400-0267 available by request