E213-0803 Screening compound: N~2~-(2-ethylphenyl)-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E213-0803
N~2~-(2-ethylphenyl)-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
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
E213-0803
Molecular Formula
C20H21N3O2S (C20 H21 N3 O2 S)
Compound Name
N~2~-(2-ethylphenyl)-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
IUPAC name
N-(2-ethylphenyl)-4-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-triene-5-carboxamide
SMILES
CCc(cccc1)c1NC(c1c(C)c(C(N(CCCC2)C2=N2)=O)c2s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
367.47
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.367
Distribution Coefficient, logD
3.367
Water Solubility, LogSw
-3.53
Polar Surface Area
48.684
Acid Dissociation Constant (pKa)
10.31
Base Dissociation Constant (pKb)
1.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.00
E213-0803 in Drug Discovery
Included in Screening Libraries
Purinergic Library (3321 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cardiovascular
- Metabolic
- GPCR
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with E213-0803 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of E213-0803, 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)