D337-1272 Screening compound: 3,4-dimethylphenyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound D337-1272
3,4-dimethylphenyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate
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
D337-1272
Molecular Formula
C20H17NO5 (C20 H17 NO5)
Compound Name
3,4-dimethylphenyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate
IUPAC name
34-dimethylphenyl 5-(23-dihydro-14-benzodioxin-6-yl)-12-oxazole-3-carboxylate
SMILES
Cc(cc1)c(C)cc1OC(c1noc(-c(cc2)cc3c2OCCO3)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
351.36
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.946
Distribution Coefficient, logD
3.946
Water Solubility, LogSw
-4.04
Polar Surface Area
57.975
Acid Dissociation Constant (pKa)
28.43
Base Dissociation Constant (pKb)
-8.05
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
D337-1272 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
References: we are preparing a list of scientific research reports with D337-1272 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)