E213-0635 Screening compound: ethyl 1-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

E213-0635 Screening compound: ethyl 1-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate
E213-0635 Screening compound: ethyl 1-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0635
ethyl 1-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

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

E213-0635

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

ethyl 1-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-{4-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-triene-5-carbonyl}piperidine-4-carboxylate

SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-3-27-20(26)13-7-10-22(11-8-13)19(25)16-12(2)15-17(28-16)21-14-6-4-5-9-23(14)18(15)24/h13H,3-11H2,1-2H3

InChI Key

SCAILUZIOJPUDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.966

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-2.08

Polar Surface Area

63.693

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

E213-0635 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 E213-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0635?
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What is the minimum amount of E213-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0635
  • 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 E213-0635 available by request