H025-0606 Screening compound: 3-(benzenesulfonyl)-N-(3,5-dimethyladamantan-1-yl)-[1,2,3]triazolo[1,5-a]quinolin-5-amine
Chemical Structure Depiction of ChemDiv screening compound H025-0606
3-(benzenesulfonyl)-N-(3,5-dimethyladamantan-1-yl)-[1,2,3]triazolo[1,5-a]quinolin-5-amine
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
H025-0606
Molecular Formula
C28H30N4O2S (C28 H30 N4 O2 S)
Compound Name
3-(benzenesulfonyl)-N-(3,5-dimethyladamantan-1-yl)-[1,2,3]triazolo[1,5-a]quinolin-5-amine
IUPAC name
3-(benzenesulfonyl)-N-(35-dimethyladamantan-1-yl)-[123]triazolo[15-a]quinolin-5-amine
SMILES
CC(CC(C1)C2)(CC1(C)C1)CC12Nc(c(cccc1)c1n1nn2)cc1c2S(c1ccccc1)(=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
486.64
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.112
Distribution Coefficient, logD
6.111
Water Solubility, LogSw
-5.86
Polar Surface Area
61.500
Acid Dissociation Constant (pKa)
18.96
Base Dissociation Constant (pKb)
4.86
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
H025-0606 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CORONAVIRUS Library (20774 compounds)
PLpro Library (6343 compounds)
Regenerative Medicine Focused Library (23016 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Ion Channels Focused Library (26372 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Nervous system
- Antiviral
- Infections
- Immune system
- Eye
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Nervous system
- Cardiovascular
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- GPCR
- Ion Channels
- Ion Channels
- Phosphatases
- Receptor's ligands
- Epigenetic
References: we are preparing a list of scientific research reports with H025-0606 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of H025-0606, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)