M400-0170 Screening compound: N-[(2-FLUOROPHENYL)METHYL]-4-[3-(5-METHYLFURAN-2-YL)PROPYL]-2345-TETRAHYDRO-14-BENZOXAZEPINE-7-CARBOXAMIDE
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 Key
MDL Number (MFCD)
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
- Cancer
- Hemic and lymphatic
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Kinases
- 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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)