E213-0827 Screening compound: 2-{[4-(2,4-dimethylphenyl)piperazino]carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one

E213-0827 Screening compound: 2-{[4-(2,4-dimethylphenyl)piperazino]carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
E213-0827 Screening compound: 2-{[4-(2,4-dimethylphenyl)piperazino]carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0827
2-{[4-(2,4-dimethylphenyl)piperazino]carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one

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

E213-0827

Molecular Formula

C24H28N4O2S (C24 H28 N4 O2 S)

Compound Name

2-{[4-(2,4-dimethylphenyl)piperazino]carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-[4-(24-dimethylphenyl)piperazine-1-carbonyl]-4-methyl-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-trien-2-one

SMILES

Cc1c(C(N(CC2)CCN2c2c(C)cc(C)cc2)=O)sc(N=C2N3CCCC2)c1C3=O

InChI

InChI=1S/C24H28N4O2S/c1-15-7-8-18(16(2)14-15)26-10-12-27(13-11-26)24(30)21-17(3)20-22(31-21)25-19-6-4-5-9-28(19)23(20)29/h7-8,14H,4-6,9-13H2,1-3H3

InChI Key

UNKPQCBDZXBVAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.24

Polar Surface Area

45.899

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

E213-0827 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 E213-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0827?
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What is the minimum amount of E213-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0827
  • 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 E213-0827 available by request