M400-0170 Screening compound: N-[(2-FLUOROPHENYL)METHYL]-4-[3-(5-METHYLFURAN-2-YL)PROPYL]-2345-TETRAHYDRO-14-BENZOXAZEPINE-7-CARBOXAMIDE

M400-0170 Screening compound: N-[(2-FLUOROPHENYL)METHYL]-4-[3-(5-METHYLFURAN-2-YL)PROPYL]-2345-TETRAHYDRO-14-BENZOXAZEPINE-7-CARBOXAMIDE
M400-0170 Screening compound: N-[(2-FLUOROPHENYL)METHYL]-4-[3-(5-METHYLFURAN-2-YL)PROPYL]-2345-TETRAHYDRO-14-BENZOXAZEPINE-7-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0170
N-[(2-FLUOROPHENYL)METHYL]-4-[3-(5-METHYLFURAN-2-YL)PROPYL]-2345-TETRAHYDRO-14-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

M400-0170

Molecular Formula

C25H27FN2O3 (C25 H27 FN2 O3)

Compound Name

N-[(2-FLUOROPHENYL)METHYL]-4-[3-(5-METHYLFURAN-2-YL)PROPYL]-2345-TETRAHYDRO-14-BENZOXAZEPINE-7-CARBOXAMIDE

IUPAC name

N-[(2-fluorophenyl)methyl]-4-[3-(5-methylfuran-2-yl)propyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

Cc1ccc(CCCN2Cc(cc(cc3)C(NCc(cccc4)c4F)=O)c3OCC2)o1

InChI

InChI=1S/C25H27FN2O3/c1-18-8-10-22(31-18)6-4-12-28-13-14-30-24-11-9-19(15-21(24)17-28)25(29)27-16-20-5-2-3-7-23(20)26/h2-3,5,7-11,15H,4,6,12-14,16-17H2,1H3,(H,27,29)

InChI Key

SFLRGHSLKBRWTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.22

Polar Surface Area

43.570

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M400-0170 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 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
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M400-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0170?
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What is the minimum amount of M400-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0170
  • 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 M400-0170 available by request