E213-0687 Screening compound: 2-{[4-(4-methoxyphenyl)piperazino]carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one

E213-0687 Screening compound: 2-{[4-(4-methoxyphenyl)piperazino]carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
E213-0687 Screening compound: 2-{[4-(4-methoxyphenyl)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 E213-0687
2-{[4-(4-methoxyphenyl)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

E213-0687

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

2-{[4-(4-methoxyphenyl)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-(4-methoxyphenyl)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)CCN2c(cc2)ccc2OC)=O)sc(N=C2N3CCCC2)c1C3=O

InChI

InChI=1S/C23H26N4O3S/c1-15-19-21(24-18-5-3-4-10-27(18)22(19)28)31-20(15)23(29)26-13-11-25(12-14-26)16-6-8-17(30-2)9-7-16/h6-9H,3-5,10-14H2,1-2H3

InChI Key

VSYALMKYXLZLNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.793

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.12

Polar Surface Area

53.743

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E213-0687 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 E213-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0687?
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What is the minimum amount of E213-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0687
  • 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 E213-0687 available by request