Y040-0842 Screening compound: 9-butoxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
Chemical Structure Depiction of ChemDiv screening compound Y040-0842
9-butoxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-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
Y040-0842
Molecular Formula
C17H20O3 (C17 H20 O3)
Compound Name
9-butoxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
IUPAC name
9-butoxy-7-methyl-1H2H3H4H-cyclopenta[c]chromen-4-one
SMILES
CCCCOc1cc(C)cc(O2)c1C(CCC1)=C1C2=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
272.34
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.531
Distribution Coefficient, logD
4.531
Water Solubility, LogSw
-4.53
Polar Surface Area
28.951
Acid Dissociation Constant (pKa)
24.14
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.10
Y040-0842 in Drug Discovery
Included in Screening Libraries
Cardiovascular Library (22201 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with Y040-0842 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)