E213-0675 Screening compound: 3-methyl-2-[(4-propylpiperazino)carbonyl]-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one

E213-0675 Screening compound: 3-methyl-2-[(4-propylpiperazino)carbonyl]-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
E213-0675 Screening compound: 3-methyl-2-[(4-propylpiperazino)carbonyl]-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 E213-0675
3-methyl-2-[(4-propylpiperazino)carbonyl]-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

E213-0675

Molecular Formula

C19H26N4O2S (C19 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC1)CCN1C(c1c(C)c(C(N(CCCC2)C2=N2)=O)c2s1)=O

InChI

InChI=1S/C19H26N4O2S/c1-3-7-21-9-11-22(12-10-21)19(25)16-13(2)15-17(26-16)20-14-6-4-5-8-23(14)18(15)24/h3-12H2,1-2H3

InChI Key

XWZMUZAWAYZYMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

1.508

Water Solubility, LogSw

-1.82

Polar Surface Area

46.730

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

E213-0675 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 E213-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0675?
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What is the minimum amount of E213-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0675
  • 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 E213-0675 available by request