M013-0532 Screening compound: 3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide
Chemical Structure Depiction of ChemDiv screening compound M013-0532
3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide
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
M013-0532
Molecular Formula
C26H25N3O4 (C26 H25 N3 O4)
Compound Name
3-(acetylamino)-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)-2-methylbenzamide
IUPAC name
3-acetamido-2-methyl-N-[10-oxo-9-(propan-2-yl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-6-yl]benzamide
SMILES
CC(C)N(c(cc(cc1)NC(c2c(C)c(NC(C)=O)ccc2)=O)c1Oc1c2cccc1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
443.5
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.671
Distribution Coefficient, logD
3.670
Water Solubility, LogSw
-4.07
Polar Surface Area
68.213
Acid Dissociation Constant (pKa)
9.89
Base Dissociation Constant (pKb)
0.32
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.20
M013-0532 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
KRAS-Targeted Library (16000 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Kinases
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with M013-0532 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)