1611-4115 Screening compound: ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 1611-4115
ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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
1611-4115
Molecular Formula
C27H27N3O3S (C27 H27 N3 O3 S)
Compound Name
ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC name
ethyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-7-methyl-3-oxo-5-[(1E)-2-phenylethenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate
SMILES
CCOC(C(C(/C=C/c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1N(C)C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
473.6
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.139
Distribution Coefficient, logD
5.139
Water Solubility, LogSw
-5.05
Polar Surface Area
48.504
Acid Dissociation Constant (pKa)
26.36
Base Dissociation Constant (pKb)
3.55
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
22.20
1611-4115 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 1611-4115 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)