E694-0076 Screening compound: 1-(2-methoxyphenyl)-4-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine
Chemical Structure Depiction of ChemDiv screening compound E694-0076
1-(2-methoxyphenyl)-4-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine
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
E694-0076
Molecular Formula
C27H26N6O3S (C27 H26 N6 O3 S)
Compound Name
1-(2-methoxyphenyl)-4-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine
IUPAC name
1-(2-methoxyphenyl)-4-[3-(4-methylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]piperazine
SMILES
Cc(cc1)ccc1S(c(nnn1c2c3cccc2)c1nc3N(CC1)CCN1c(cccc1)c1OC)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
514.61
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
5.268
Distribution Coefficient, logD
5.268
Water Solubility, LogSw
-5.47
Polar Surface Area
75.718
Acid Dissociation Constant (pKa)
21.90
Base Dissociation Constant (pKb)
3.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
22.20
E694-0076 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with E694-0076 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)