M400-0256 Screening compound: N-benzyl-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M400-0256 Screening compound: N-benzyl-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M400-0256 Screening compound: N-benzyl-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0256
N-benzyl-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-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

M400-0256

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

N-benzyl-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

N-benzyl-4-(24-dimethyl-13-thiazole-5-carbonyl)-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

Cc1c(C(N2Cc(cc(cc3)C(NCc4ccccc4)=O)c3OCC2)=O)sc(C)n1

InChI

InChI=1S/C23H23N3O3S/c1-15-21(30-16(2)25-15)23(28)26-10-11-29-20-9-8-18(12-19(20)14-26)22(27)24-13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,27)

InChI Key

XLBZLWBEEBXATG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

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

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.79

Polar Surface Area

59.633

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M400-0256 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
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 M400-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0256?
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What is the minimum amount of M400-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0256
  • 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 M400-0256 available by request