8016-4987 Screening compound: 6,7-dichloro-5,8-quinolinedione
Chemical Structure Depiction of ChemDiv screening compound 8016-4987
6,7-dichloro-5,8-quinolinedione
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
8016-4987
Molecular Formula
C9H3Cl2NO2 (C9 H3 Cl2 NO2)
Compound Name
6,7-dichloro-5,8-quinolinedione
IUPAC name
67-dichloro-58-dihydroquinoline-58-dione
SMILES
O=C(c1c(C2=O)nccc1)C(Cl)=C2Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
228.03
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.094
Distribution Coefficient, logD
2.094
Water Solubility, LogSw
-3.07
Polar Surface Area
36.361
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
-4.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
8016-4987 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Phosphatases Annotated Library (206 compounds)
Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 8016-4987 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)