D394-6244 Screening compound: 3-methoxyphenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of ChemDiv screening compound D394-6244
3-methoxyphenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
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
D394-6244
Molecular Formula
C18H14N2O6S (C18 H14 N2 O6 S)
Compound Name
3-methoxyphenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
IUPAC name
3-methoxyphenyl 2-{[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]sulfanyl}acetate
SMILES
COc1cccc(OC(CSc2nnc(-c(cc3)cc4c3OCO4)o2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
386.39
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.160
Distribution Coefficient, logD
3.160
Water Solubility, LogSw
-3.36
Polar Surface Area
74.778
Acid Dissociation Constant (pKa)
18.54
Base Dissociation Constant (pKb)
-3.89
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
D394-6244 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Cancer
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with D394-6244 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)