E213-0730 Screening compound: N~2~-(5-chloro-2,4-dimethoxyphenyl)-N~2~,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0730 Screening compound: N~2~-(5-chloro-2,4-dimethoxyphenyl)-N~2~,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0730 Screening compound: N~2~-(5-chloro-2,4-dimethoxyphenyl)-N~2~,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0730
N~2~-(5-chloro-2,4-dimethoxyphenyl)-N~2~,3-dimethyl-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

E213-0730

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

N~2~-(5-chloro-2,4-dimethoxyphenyl)-N~2~,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-N4-dimethyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-triene-5-carboxamide

SMILES

Cc1c(C(N(C)c(c(OC)c2)cc(Cl)c2OC)=O)sc(N=C2N3CCCC2)c1C3=O

InChI

InChI=1S/C21H22ClN3O4S/c1-11-17-19(23-16-7-5-6-8-25(16)20(17)26)30-18(11)21(27)24(2)13-9-12(22)14(28-3)10-15(13)29-4/h9-10H,5-8H2,1-4H3

InChI Key

QSRIWRGQGZFGJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-4.02

Polar Surface Area

56.620

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E213-0730 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E213-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0730?
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What is the minimum amount of E213-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0730
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E213-0730 available by request