2388-1046 Screening compound: methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 2388-1046
methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-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
2388-1046
Molecular Formula
C23H19N3O6S (C23 H19 N3 O6 S)
Compound Name
methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC name
methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate
SMILES
CC(N=C(N(C1c(cc2)ccc2OC)C2=O)S/C2=C\c(cc2)ccc2[N+]([O-])=O)=C1C(OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
465.49
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.950
Distribution Coefficient, logD
3.950
Water Solubility, LogSw
-4.10
Polar Surface Area
87.093
Acid Dissociation Constant (pKa)
27.35
Base Dissociation Constant (pKb)
2.24
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
17.40
References: we are preparing a list of scientific research reports with 2388-1046 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)