8015-9407 Screening compound: 7-ethyl 2-methyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4H,6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylate
Chemical Structure Depiction of ChemDiv screening compound 8015-9407
7-ethyl 2-methyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4H,6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylate
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
8015-9407
Molecular Formula
C22H24N2O8S (C22 H24 N2 O8 S)
Compound Name
7-ethyl 2-methyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4H,6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylate
IUPAC name
7-ethyl 2-methyl 8-methyl-4-oxo-6-(345-trimethoxyphenyl)-4H6H-pyrimido[21-b][13]thiazine-27-dicarboxylate
SMILES
CCOC(C(C(c(cc1OC)cc(OC)c1OC)N12)=C(C)N=C1SC(C(OC)=O)=CC2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
476.51
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.329
Distribution Coefficient, logD
2.329
Water Solubility, LogSw
-2.44
Polar Surface Area
90.082
Acid Dissociation Constant (pKa)
27.50
Base Dissociation Constant (pKb)
3.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.36
8015-9407 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 8015-9407 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 8015-9407, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)