4182-0399 Screening compound: 4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of ChemDiv screening compound 4182-0399
4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid
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
4182-0399
Molecular Formula
C26H22O5 (C26 H22 O5)
Compound Name
4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid
IUPAC name
4-{[(3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid
SMILES
Cc(c(O1)c(cc2)C(C)=C(Cc3ccccc3)C1=O)c2OCc(cc1)ccc1C(O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
414.46
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.853
Distribution Coefficient, logD
2.881
Water Solubility, LogSw
-5.64
Polar Surface Area
56.295
Acid Dissociation Constant (pKa)
4.43
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.40
4182-0399 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Autophagy-Targeted Library (4564 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Kinases
References: we are preparing a list of scientific research reports with 4182-0399 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)