E213-0708 Screening compound: N~2~-(2-ethylphenyl)-N~2~,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0708 Screening compound: N~2~-(2-ethylphenyl)-N~2~,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0708 Screening compound: N~2~-(2-ethylphenyl)-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 E213-0708
N~2~-(2-ethylphenyl)-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

E213-0708

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

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

SMILES

CCc(cccc1)c1N(C)C(c1c(C)c(C(N(CCCC2)C2=N2)=O)c2s1)=O

InChI

InChI=1S/C21H23N3O2S/c1-4-14-9-5-6-10-15(14)23(3)21(26)18-13(2)17-19(27-18)22-16-11-7-8-12-24(16)20(17)25/h5-6,9-10H,4,7-8,11-12H2,1-3H3

InChI Key

AFSAFWSWNUFSJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.390

Distribution Coefficient, logD

3.390

Water Solubility, LogSw

-3.81

Polar Surface Area

41.359

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E213-0708 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 E213-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0708?
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What is the minimum amount of E213-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0708
  • 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 E213-0708 available by request