8003-1578 Screening compound: N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
Chemical Structure Depiction of ChemDiv screening compound 8003-1578
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
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
8003-1578
Molecular Formula
C17H15N3O7 (C17 H15 N3 O7)
Compound Name
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
IUPAC name
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-23-dihydro-14-benzodioxine-6-carbohydrazide
SMILES
COc1cc(/C=N/NC(c(cc2)cc3c2OCCO3)=O)cc([N+]([O-])=O)c1O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
373.32
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.694
Distribution Coefficient, logD
0.813
Water Solubility, LogSw
-2.20
Polar Surface Area
107.568
Acid Dissociation Constant (pKa)
6.58
Base Dissociation Constant (pKb)
-0.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.60
8003-1578 in Drug Discovery
Included in Screening Libraries
Carbonic Anhydrase II Library (4939 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8003-1578 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)