3406-0718 Screening compound: 2,6,7-trihydroxy-9-(2-nitrophenyl)-3H-xanthen-3-one
Chemical Structure Depiction of ChemDiv screening compound 3406-0718
2,6,7-trihydroxy-9-(2-nitrophenyl)-3H-xanthen-3-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
3406-0718
Molecular Formula
C19H11NO7 (C19 H11 NO7)
Compound Name
2,6,7-trihydroxy-9-(2-nitrophenyl)-3H-xanthen-3-one
IUPAC name
267-trihydroxy-9-(2-nitrophenyl)-3H-xanthen-3-one
SMILES
[O-][N+](c(cccc1)c1C(c(cc(c(O)c1)O)c1O1)=C(C=C2O)C1=CC2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
365.3
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.393
Distribution Coefficient, logD
-3.273
Water Solubility, LogSw
-2.92
Polar Surface Area
104.132
Acid Dissociation Constant (pKa)
1.73
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
3406-0718 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Proteases Annotated Library (2868 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3406-0718 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)