J030-0845 Screening compound: 8-methyl-2-(piperidinosulfonyl)-3-[(tetrahydro-2-furanylmethyl)amino]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of ChemDiv screening compound J030-0845
8-methyl-2-(piperidinosulfonyl)-3-[(tetrahydro-2-furanylmethyl)amino]dibenzo[b,f][1,4]oxazepin-11(10H)-one
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
J030-0845
Molecular Formula
C24H29N3O5S (C24 H29 N3 O5 S)
Compound Name
8-methyl-2-(piperidinosulfonyl)-3-[(tetrahydro-2-furanylmethyl)amino]dibenzo[b,f][1,4]oxazepin-11(10H)-one
IUPAC name
6-methyl-14-{[(oxolan-2-yl)methyl]amino}-13-(piperidine-1-sulfonyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaen-10-one
SMILES
Cc(cc1)cc(NC(c2c3)=O)c1Oc2cc(NCC1OCCC1)c3S(N1CCCCC1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
471.58
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.350
Distribution Coefficient, logD
3.304
Water Solubility, LogSw
-3.67
Polar Surface Area
82.242
Acid Dissociation Constant (pKa)
8.35
Base Dissociation Constant (pKb)
-2.58
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
45.80
J030-0845 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
KRAS-Targeted Library (16000 compounds)
Nucleic Acid Ligands (8311 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Infections
- Cancer
- Musculoskeletal
- Nervous system
- Hemic and lymphatic
- Immune system
- Kinases
- Kinases
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with J030-0845 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)