Y040-8377 Screening compound: 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid
Chemical Structure Depiction of ChemDiv screening compound Y040-8377
2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic 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
Y040-8377
Molecular Formula
C30H29NO6 (C30 H29 NO6)
Compound Name
2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid
IUPAC name
(2S)-2-{2-[(3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid
SMILES
CC(C(NC(Cc1ccccc1)C(O)=O)=O)Oc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
499.56
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.221
Distribution Coefficient, logD
0.630
Water Solubility, LogSw
-4.43
Polar Surface Area
79.900
Acid Dissociation Constant (pKa)
3.81
Base Dissociation Constant (pKb)
-2.26
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
23.30
Y040-8377 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Nervous system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Ion Channels
- Phosphatases
References: we are preparing a list of scientific research reports with Y040-8377 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)