M400-0266 Screening compound: 4-(1-acetylpiperidin-4-yl)-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M400-0266 Screening compound: 4-(1-acetylpiperidin-4-yl)-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M400-0266 Screening compound: 4-(1-acetylpiperidin-4-yl)-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0266
4-(1-acetylpiperidin-4-yl)-N-benzyl-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

M400-0266

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

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

IUPAC name

4-(1-acetylpiperidin-4-yl)-N-benzyl-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

CC(N(CC1)CCC1N1Cc(cc(cc2)C(NCc3ccccc3)=O)c2OCC1)=O

InChI

InChI=1S/C24H29N3O3/c1-18(28)26-11-9-22(10-12-26)27-13-14-30-23-8-7-20(15-21(23)17-27)24(29)25-16-19-5-3-2-4-6-19/h2-8,15,22H,9-14,16-17H2,1H3,(H,25,29)

InChI Key

IHFCZIZVKVDNNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

1.258

Water Solubility, LogSw

-3.06

Polar Surface Area

53.077

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

M400-0266 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M400-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0266?
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What is the minimum amount of M400-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0266
  • 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 M400-0266 available by request