3456-1905 Screening compound: N-[(Z)-[(6-ethoxy-4-methylquinazolin-2-yl)amino]({[(Z)-4-methylbenzoyl]imino})methyl]-4-methylbenzamide
Chemical Structure Depiction of ChemDiv screening compound 3456-1905
N-[(Z)-[(6-ethoxy-4-methylquinazolin-2-yl)amino]({[(Z)-4-methylbenzoyl]imino})methyl]-4-methylbenzamide
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
3456-1905
Molecular Formula
C28H27N5O3 (C28 H27 N5 O3)
Compound Name
N-[(Z)-[(6-ethoxy-4-methylquinazolin-2-yl)amino]({[(Z)-4-methylbenzoyl]imino})methyl]-4-methylbenzamide
IUPAC name
N-[(Z)-[(6-ethoxy-4-methylquinazolin-2-yl)amino]({[(Z)-4-methylbenzoyl]imino})methyl]-4-methylbenzamide
SMILES
CCOc1ccc2nc(N/C(/NC(c3ccc(C)cc3)=O)=N/C(c3ccc(C)cc3)=O)nc(C)c2c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
481.55
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.627
Distribution Coefficient, logD
5.542
Water Solubility, LogSw
-5.54
Polar Surface Area
81.829
Acid Dissociation Constant (pKa)
8.83
Base Dissociation Constant (pKb)
6.63
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.90
3456-1905 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3456-1905 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)