8020-2034 Screening compound: 6-chloro-4-(5-nitro-1-benzofuran-2-yl)-2H-chromen-2-one
Chemical Structure Depiction of ChemDiv screening compound 8020-2034
6-chloro-4-(5-nitro-1-benzofuran-2-yl)-2H-chromen-2-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
8020-2034
Molecular Formula
C17H8ClNO5 (C17 H8 ClNO5)
Compound Name
6-chloro-4-(5-nitro-1-benzofuran-2-yl)-2H-chromen-2-one
IUPAC name
6-chloro-4-(5-nitro-1-benzofuran-2-yl)-2H-chromen-2-one
SMILES
[O-][N+](c(cc1)cc2c1oc(C(c(cc(cc1)Cl)c1O1)=CC1=O)c2)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
341.71
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.379
Distribution Coefficient, logD
4.379
Water Solubility, LogSw
-4.70
Polar Surface Area
62.049
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
8020-2034 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Immune system
References: we are preparing a list of scientific research reports with 8020-2034 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)