3807-5690 Screening compound: 2,2,4-trimethyl-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline
Chemical Structure Depiction of ChemDiv screening compound 3807-5690
2,2,4-trimethyl-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline
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
3807-5690
Molecular Formula
C19H23NO2S (C19 H23 NO2 S)
Compound Name
2,2,4-trimethyl-1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoline
IUPAC name
224-trimethyl-1-(4-methylbenzenesulfonyl)-1234-tetrahydroquinoline
SMILES
CC(CC1(C)C)c(cccc2)c2N1S(c1ccc(C)cc1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
329.46
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.638
Distribution Coefficient, logD
4.638
Water Solubility, LogSw
-4.40
Polar Surface Area
30.941
Acid Dissociation Constant (pKa)
23.07
Base Dissociation Constant (pKb)
-5.84
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.80
3807-5690 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-Aging Library (44940 compounds)
Antiparasite Library (23996 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cardiovascular Library (22201 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Cardiovascular
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with 3807-5690 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)