Y020-0287 Screening compound: 3-[(4-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
Chemical Structure Depiction of ChemDiv screening compound Y020-0287
3-[(4-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
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
Y020-0287
Molecular Formula
C15H10ClN3S2 (C15 H10 ClN3 S2)
Compound Name
3-[(4-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
IUPAC name
3-{[(4-chlorophenyl)methyl]sulfanyl}-7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene
SMILES
Clc1ccc(CSc2nnc3sc(cccc4)c4n23)cc1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
331.85
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.350
Distribution Coefficient, logD
4.350
Water Solubility, LogSw
-4.65
Polar Surface Area
22.307
Acid Dissociation Constant (pKa)
23.23
Base Dissociation Constant (pKb)
2.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.70
Y020-0287 in Drug Discovery
Included in Screening Libraries
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Epigenetic
- Others
- Agro
References: we are preparing a list of scientific research reports with Y020-0287 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)