Y041-1488 Screening compound: (2S)-3-(1H-indol-3-yl)-2-({2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)propanoic acid
Chemical Structure Depiction of ChemDiv screening compound Y041-1488
(2S)-3-(1H-indol-3-yl)-2-({2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)propanoic 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
Y041-1488
Molecular Formula
C29H24N2O6 (C29 H24 N2 O6)
Compound Name
(2S)-3-(1H-indol-3-yl)-2-({2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}amino)propanoic acid
IUPAC name
(2S)-3-(1H-indol-3-yl)-2-{2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamido}propanoic acid
SMILES
CC(C(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O)Oc(cc1)cc(O2)c1C(c1ccccc1)=CC2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
496.52
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.798
Distribution Coefficient, logD
-0.793
Water Solubility, LogSw
-3.39
Polar Surface Area
89.486
Acid Dissociation Constant (pKa)
3.81
Base Dissociation Constant (pKb)
-1.24
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
13.79
Y041-1488 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with Y041-1488 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)