E213-0725 Screening compound: N~2~-(4-ethoxyphenyl)-N~2~-ethyl-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0725 Screening compound: N~2~-(4-ethoxyphenyl)-N~2~-ethyl-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0725 Screening compound: N~2~-(4-ethoxyphenyl)-N~2~-ethyl-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 E213-0725
N~2~-(4-ethoxyphenyl)-N~2~-ethyl-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

E213-0725

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N~2~-(4-ethoxyphenyl)-N~2~-ethyl-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

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

SMILES

CCN(C(c1c(C)c(C(N(CCCC2)C2=N2)=O)c2s1)=O)c(cc1)ccc1OCC

InChI

InChI=1S/C22H25N3O3S/c1-4-24(15-9-11-16(12-10-15)28-5-2)22(27)19-14(3)18-20(29-19)23-17-8-6-7-13-25(17)21(18)26/h9-12H,4-8,13H2,1-3H3

InChI Key

SZMUOCMNSDIODA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.74

Polar Surface Area

48.762

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E213-0725 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 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 E213-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0725?
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What is the minimum amount of E213-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0725
  • 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 E213-0725 available by request