P749-0136 Screening compound: N,N-dimethyl-N-pyrido[3,2-b][1,4]benzoxazepin-10-ylamine
Chemical Structure Depiction of ChemDiv screening compound P749-0136
N,N-dimethyl-N-pyrido[3,2-b][1,4]benzoxazepin-10-ylamine
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
P749-0136
Molecular Formula
C14H13N3O (C14 H13 N3 O)
Compound Name
N,N-dimethyl-N-pyrido[3,2-b][1,4]benzoxazepin-10-ylamine
IUPAC name
NN-dimethyl-2-oxa-79-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-amine
SMILES
CN(C)C1=Nc(nccc2)c2Oc2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
239.28
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.272
Distribution Coefficient, logD
0.337
Water Solubility, LogSw
-2.63
Polar Surface Area
27.238
Acid Dissociation Constant (pKa)
33.97
Base Dissociation Constant (pKb)
9.33
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
P749-0136 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Fragments Library (11262 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
New Agro Library (44492 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Fragments
- Mimetics
- Others
- Kinases
- Epigenetic
- PPI modulators
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with P749-0136 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)