J084-0295 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)propanamide
Chemical Structure Depiction of ChemDiv screening compound J084-0295
N-(2H-1,3-benzodioxol-5-yl)-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)propanamide
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
J084-0295
Molecular Formula
C25H19N5O3S (C25 H19 N5 O3 S)
Compound Name
N-(2H-1,3-benzodioxol-5-yl)-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)propanamide
IUPAC name
N-(2H-13-benzodioxol-5-yl)-2-({5-phenyl-[124]triazolo[43-c]quinazolin-3-yl}sulfanyl)propanamide
SMILES
CC(C(Nc(cc1)cc2c1OCO2)=O)Sc1nnc2n1c(-c1ccccc1)nc1c2cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
469.52
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.020
Distribution Coefficient, logD
5.012
Water Solubility, LogSw
-4.88
Polar Surface Area
70.788
Acid Dissociation Constant (pKa)
11.27
Base Dissociation Constant (pKb)
5.66
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
12.00
J084-0295 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
References: we are preparing a list of scientific research reports with J084-0295 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)