J084-0694 Screening compound: 5-({[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
Chemical Structure Depiction of ChemDiv screening compound J084-0694
5-({[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
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
J084-0694
Molecular Formula
C23H16N6OS (C23 H16 N6 OS)
Compound Name
5-({[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
IUPAC name
5-({[5-(3-methylphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}methyl)-213-benzoxadiazole
SMILES
Cc1cccc(-c(n23)nc(cccc4)c4c3nnc2SCc2cc3nonc3cc2)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
424.49
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.752
Distribution Coefficient, logD
5.722
Water Solubility, LogSw
-5.87
Polar Surface Area
65.630
Acid Dissociation Constant (pKa)
20.58
Base Dissociation Constant (pKb)
6.26
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
8.70
J084-0694 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Included in 1.7M Stock Database
- Immune system
- Nervous system
References: we are preparing a list of scientific research reports with J084-0694 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)