Y021-2392 Screening compound: 4,4-dimethyl-4,5,8,9-tetrahydro-1H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinoline-1-thione
Chemical Structure Depiction of ChemDiv screening compound Y021-2392
4,4-dimethyl-4,5,8,9-tetrahydro-1H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinoline-1-thione
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
Y021-2392
Molecular Formula
C14H13NO2S3 (C14 H13 NO2 S3)
Compound Name
4,4-dimethyl-4,5,8,9-tetrahydro-1H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinoline-1-thione
IUPAC name
1616-dimethyl-47-dioxa-1314-dithia-17-azatetracyclo[8.7.0.0^{38}.0^{1115}]heptadeca-13(8)911(15)-tetraene-12-thione
SMILES
CC1(C)Nc(cc2OCCOc2c2)c2C2=C1SSC2=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
323.46
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.566
Distribution Coefficient, logD
2.566
Water Solubility, LogSw
-2.95
Polar Surface Area
27.705
Acid Dissociation Constant (pKa)
18.23
Base Dissociation Constant (pKb)
2.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.71
Y021-2392 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y021-2392 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)