0495-0007 Screening compound: 2,16-dinitro-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine
Chemical Structure Depiction of ChemDiv screening compound 0495-0007
2,16-dinitro-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine
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
0495-0007
Molecular Formula
C20H22N2O10 (C20 H22 N2 O10)
Compound Name
2,16-dinitro-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine
IUPAC name
824-dinitro-2512151821-hexaoxatricyclo[20.4.0.0^{611}]hexacosa-1(22)6(11)792325-hexaene
SMILES
[O-][N+](c(cc1)cc2c1OCCOc(cc(cc1)[N+]([O-])=O)c1OCCOCCOCCO2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
450.4
Hydrogen Bond Acceptors Count
14.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
1.647
Distribution Coefficient, logD
1.647
Water Solubility, LogSw
-1.96
Polar Surface Area
114.604
Acid Dissociation Constant (pKa)
28.63
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
References: we are preparing a list of scientific research reports with 0495-0007 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)