M012-0632 Screening compound: 4-(3-fluorobenzenesulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of ChemDiv screening compound M012-0632
4-(3-fluorobenzenesulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
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
M012-0632
Molecular Formula
C23H21F2NO4S (C23 H21 F2 NO4 S)
Compound Name
4-(3-fluorobenzenesulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
IUPAC name
4-(3-fluorobenzenesulfonyl)-7-{[(2-fluorophenyl)methoxy]methyl}-2345-tetrahydro-14-benzoxazepine
SMILES
O=S(c1cc(F)ccc1)(N1Cc(cc(COCc(cccc2)c2F)cc2)c2OCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
445.49
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.866
Distribution Coefficient, logD
4.866
Water Solubility, LogSw
-4.94
Polar Surface Area
48.056
Acid Dissociation Constant (pKa)
25.89
Base Dissociation Constant (pKb)
-5.34
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.70
M012-0632 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Eccentric PPI Library (11937 compounds)
PI3K-Targeted Library (17255 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Immune system
- Cancer
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Kinases
- Kinases
- Others
- PPI modulators
- PPI modulators
- Epigenetic
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with M012-0632 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)