J008-0557 Screening compound: methyl 3-{[5-(4-hydroxy-3-methoxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate
Chemical Structure Depiction of ChemDiv screening compound J008-0557
methyl 3-{[5-(4-hydroxy-3-methoxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate
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
J008-0557
Molecular Formula
C19H17N5O4 (C19 H17 N5 O4)
Compound Name
methyl 3-{[5-(4-hydroxy-3-methoxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate
IUPAC name
methyl 3-{[5-(4-hydroxy-3-methoxyphenyl)-3H-imidazo[12-b][124]triazol-6-yl]amino}benzoate
SMILES
COC(c1cc(Nc2c(-c(cc3)cc(OC)c3O)nc3n2nc[nH]3)ccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
379.38
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.638
Distribution Coefficient, logD
2.486
Water Solubility, LogSw
-3.02
Polar Surface Area
87.194
Acid Dissociation Constant (pKa)
7.78
Base Dissociation Constant (pKb)
5.97
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.50
J008-0557 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Angiogenesis library (14822 compounds)
Anti-Aging Library (44940 compounds)
Antifungal Library (16415 compounds)
Antimitotic Tubulin Library (17355 compounds)
Arginase Targeted Library (2009 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Hsp90-Targeted Library (11355 compounds)
Human Proteases Annotated Library (2868 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Infections
- Immune system
- animal
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Musculoskeletal
- Male
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Epigenetic
- Agro
- Others
- Kinases
References: we are preparing a list of scientific research reports with J008-0557 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)