8006-7229 Screening compound: 2-(4-nitrophenyl)-1,3-dioxolane
Chemical Structure Depiction of ChemDiv screening compound 8006-7229
2-(4-nitrophenyl)-1,3-dioxolane
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
8006-7229
Molecular Formula
C9H9NO4 (C9 H9 NO4)
Compound Name
2-(4-nitrophenyl)-1,3-dioxolane
IUPAC name
2-(4-nitrophenyl)-13-dioxolane
SMILES
[O-][N+](c1ccc(C2OCCO2)cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
195.17
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.386
Distribution Coefficient, logD
1.386
Water Solubility, LogSw
-1.89
Polar Surface Area
50.402
Acid Dissociation Constant (pKa)
26.19
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
8006-7229 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8006-7229 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)