E213-0818 Screening compound: N~2~-(2-chlorobenzyl)-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0818 Screening compound: N~2~-(2-chlorobenzyl)-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0818 Screening compound: N~2~-(2-chlorobenzyl)-3-methyl-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 E213-0818
N~2~-(2-chlorobenzyl)-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

E213-0818

Molecular Formula

C19H18ClN3O2S (C19 H18 ClN3 O2 S)

Compound Name

N~2~-(2-chlorobenzyl)-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-chlorophenyl)methyl]-4-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-triene-5-carboxamide

SMILES

Cc1c(C(NCc(cccc2)c2Cl)=O)sc(N=C2N3CCCC2)c1C3=O

InChI

InChI=1S/C19H18ClN3O2S/c1-11-15-18(22-14-8-4-5-9-23(14)19(15)25)26-16(11)17(24)21-10-12-6-2-3-7-13(12)20/h2-3,6-7H,4-5,8-10H2,1H3,(H,21,24)

InChI Key

SJKVTTBYHFKBSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.89

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

3.249

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.88

Polar Surface Area

50.704

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E213-0818 in Drug Discovery

Included in Screening Libraries

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 E213-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0818?
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What is the minimum amount of E213-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0818
  • 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 E213-0818 available by request