D103-1276 Screening compound: 6-chloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-oxo-4H-chromene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D103-1276
6-chloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-oxo-4H-chromene-2-carboxamide
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
D103-1276
Molecular Formula
C25H13ClFNO5 (C25 H13 ClFNO5)
Compound Name
6-chloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-oxo-4H-chromene-2-carboxamide
IUPAC name
6-chloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-oxo-4H-chromene-2-carboxamide
SMILES
O=C(c(oc1c2cccc1)c2NC(C(Oc(cc1)c2cc1Cl)=CC2=O)=O)c(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
461.83
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.414
Distribution Coefficient, logD
5.342
Water Solubility, LogSw
-6.07
Polar Surface Area
65.745
Acid Dissociation Constant (pKa)
8.15
Base Dissociation Constant (pKb)
-1.89
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
D103-1276 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Others
- Epigenetic
- Epigenetic
References: we are preparing a list of scientific research reports with D103-1276 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)