C736-0501 Screening compound: 2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Chemical Structure Depiction of ChemDiv screening compound C736-0501
2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]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
C736-0501
Molecular Formula
C28H27N7 (C28 H27 N7)
Compound Name
2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
IUPAC name
2-[2-(2-methyl-1H-13-benzodiazol-1-yl)ethyl]-N-[2-(3-methylphenyl)ethyl]-[124]triazolo[15-c]quinazolin-5-amine
SMILES
Cc1nc(cccc2)c2n1CCc1nn2c(NCCc3cc(C)ccc3)nc(cccc3)c3c2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
461.57
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.297
Distribution Coefficient, logD
3.936
Water Solubility, LogSw
-5.70
Polar Surface Area
53.416
Acid Dissociation Constant (pKa)
18.39
Base Dissociation Constant (pKb)
8.74
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.40
C736-0501 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PI3K-Targeted Library (17255 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with C736-0501 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)