M400-0293 Screening compound: N-benzyl-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M400-0293 Screening compound: N-benzyl-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M400-0293 Screening compound: N-benzyl-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0293
N-benzyl-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-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

M400-0293

Molecular Formula

C25H30N4O2 (C25 H30 N4 O2)

Compound Name

N-benzyl-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

N-benzyl-4-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

CCn1nc(C)c(CN2Cc(cc(cc3)C(NCc4ccccc4)=O)c3OCC2)c1C

InChI

InChI=1S/C25H30N4O2/c1-4-29-19(3)23(18(2)27-29)17-28-12-13-31-24-11-10-21(14-22(24)16-28)25(30)26-15-20-8-6-5-7-9-20/h5-11,14H,4,12-13,15-17H2,1-3H3,(H,26,30)

InChI Key

DIQVOGASVNBXRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

-0.610

Water Solubility, LogSw

-3.30

Polar Surface Area

50.607

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

11.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

M400-0293 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
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 M400-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0293?
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What is the minimum amount of M400-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0293
  • 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 M400-0293 available by request