E213-0884 Screening compound: 3-methyl-N~2~-{4-[(4-methylpiperidino)methyl]phenyl}-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0884 Screening compound: 3-methyl-N~2~-{4-[(4-methylpiperidino)methyl]phenyl}-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0884 Screening compound: 3-methyl-N~2~-{4-[(4-methylpiperidino)methyl]phenyl}-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 E213-0884
3-methyl-N~2~-{4-[(4-methylpiperidino)methyl]phenyl}-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

E213-0884

Molecular Formula

C25H30N4O2S (C25 H30 N4 O2 S)

Compound Name

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

IUPAC name

4-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-triene-5-carboxamide

SMILES

CC1CCN(Cc(cc2)ccc2NC(c2c(C)c(C(N(CCCC3)C3=N3)=O)c3s2)=O)CC1

InChI

InChI=1S/C25H30N4O2S/c1-16-10-13-28(14-11-16)15-18-6-8-19(9-7-18)26-23(30)22-17(2)21-24(32-22)27-20-5-3-4-12-29(20)25(21)31/h6-9,16H,3-5,10-15H2,1-2H3,(H,26,30)

InChI Key

WQEPKQCTJMLFBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-3.89

Polar Surface Area

53.115

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E213-0884 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E213-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0884?
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What is the minimum amount of E213-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0884
  • 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 E213-0884 available by request