5436-0891 Screening compound: 10-(4-chlorophenyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one
Chemical Structure Depiction of ChemDiv screening compound 5436-0891
10-(4-chlorophenyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-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
5436-0891
Molecular Formula
C22H17ClO3 (C22 H17 ClO3)
Compound Name
10-(4-chlorophenyl)-7-methyl-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one
IUPAC name
15-(4-chlorophenyl)-11-methyl-913-dioxatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)2(7)1012(16)14-pentaen-8-one
SMILES
Cc(c1c(cc2C3=C4CCCC3)c(-c(cc3)ccc3Cl)co1)c2OC4=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
364.83
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
6.254
Distribution Coefficient, logD
6.254
Water Solubility, LogSw
-6.06
Polar Surface Area
30.286
Acid Dissociation Constant (pKa)
26.89
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
22.70
5436-0891 in Drug Discovery
Included in Screening Libraries
Adenosine Receptors Targeted Library (19896 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- GPCR
- Phosphatases
- Receptor's ligands
- Epigenetic
References: we are preparing a list of scientific research reports with 5436-0891 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)