C718-0366 Screening compound: N-butyl-3-(2,5-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of ChemDiv screening compound C718-0366
N-butyl-3-(2,5-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
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
C718-0366
Molecular Formula
C21H23N5O2S (C21 H23 N5 O2 S)
Compound Name
N-butyl-3-(2,5-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
IUPAC name
N-butyl-3-(25-dimethylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-amine
SMILES
CCCCNc(c(cccc1)c1n1nn2)nc1c2S(c1c(C)ccc(C)c1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
409.51
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.003
Distribution Coefficient, logD
5.003
Water Solubility, LogSw
-4.85
Polar Surface Area
72.730
Acid Dissociation Constant (pKa)
19.47
Base Dissociation Constant (pKb)
1.26
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
C718-0366 in Drug Discovery
Included in Screening Libraries
BRD4 Targeted Library (4534 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Cardiovascular
- Metabolic
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Others
- Others
References: we are preparing a list of scientific research reports with C718-0366 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)