4789-5981 Screening compound: 2-(2-thienyl)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one
Chemical Structure Depiction of ChemDiv screening compound 4789-5981
2-(2-thienyl)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-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
4789-5981
Molecular Formula
C14H11NO2S2 (C14 H11 NO2 S2)
Compound Name
2-(2-thienyl)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one
IUPAC name
5-(thiophen-2-yl)-4-oxa-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one
SMILES
O=C1OC(c2cccs2)=Nc2c1c(CCCC1)c1s2
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
289.38
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.623
Distribution Coefficient, logD
3.623
Water Solubility, LogSw
-3.99
Polar Surface Area
31.027
Acid Dissociation Constant (pKa)
24.97
Base Dissociation Constant (pKb)
-3.50
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
4789-5981 in Drug Discovery
Included in Screening Libraries
Serine Proteases Inhibitors Library (32732 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Akt-Targeted Library (14764 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Proteases
- Kinases
- Phosphatases
- Epigenetic
- Receptor's ligands
References: we are preparing a list of scientific research reports with 4789-5981 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)