0310-0002 Screening compound: 3-chloro-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
Chemical Structure Depiction of ChemDiv screening compound 0310-0002
3-chloro-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
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
0310-0002
Molecular Formula
C14H6ClNO3 (C14 H6 ClNO3)
Compound Name
3-chloro-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
IUPAC name
12-chloro-10-hydroxy-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one
SMILES
Oc(cc(c1noc(-c2c3cccc2)c11)Cl)c1C3=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
271.66
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.870
Distribution Coefficient, logD
3.746
Water Solubility, LogSw
-4.06
Polar Surface Area
51.729
Acid Dissociation Constant (pKa)
7.88
Base Dissociation Constant (pKb)
-7.96
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
References: we are preparing a list of scientific research reports with 0310-0002 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)