Y030-9181 Screening compound: 2-phenylmethanesulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound Y030-9181
2-phenylmethanesulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
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
Y030-9181
Molecular Formula
C18H19NO3S (C18 H19 NO3 S)
Compound Name
2-phenylmethanesulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
IUPAC name
2-phenylmethanesulfonyl-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one
SMILES
O=C(CS(Cc1ccccc1)(=O)=O)N(CC1)Cc2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
329.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.075
Distribution Coefficient, logD
2.075
Water Solubility, LogSw
-2.41
Polar Surface Area
44.321
Acid Dissociation Constant (pKa)
12.28
Base Dissociation Constant (pKb)
-4.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.78
Y030-9181 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Immunological Library (6760 compounds)
Soluble Diversity Library (15920 compounds)
Anti-HIV1 Library (19540 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with Y030-9181 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)