E213-0471 Screening compound: 2-(1,4'-bipiperidin-1'-ylcarbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one

E213-0471 Screening compound: 2-(1,4'-bipiperidin-1'-ylcarbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
E213-0471 Screening compound: 2-(1,4'-bipiperidin-1'-ylcarbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0471
2-(1,4'-bipiperidin-1'-ylcarbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-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

E213-0471

Molecular Formula

C23H32N4O2S (C23 H32 N4 O2 S)

Compound Name

2-(1,4'-bipiperidin-1'-ylcarbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one

IUPAC name

5-{[14'-bipiperidine]-1'-carbonyl}-4-methyl-6-thia-18-diazatricyclo[7.5.0.0^{37}]tetradeca-3(7)48-trien-2-one

SMILES

Cc1c(C(N(CC2)CCC2N2CCCCC2)=O)sc(N=C2N3CCCCC2)c1C3=O

InChI

InChI=1S/C23H32N4O2S/c1-16-19-21(24-18-8-4-2-7-13-27(18)22(19)28)30-20(16)23(29)26-14-9-17(10-15-26)25-11-5-3-6-12-25/h17H,2-15H2,1H3

InChI Key

NSYUMLKMZYSVGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

-0.542

Water Solubility, LogSw

-3.01

Polar Surface Area

46.364

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

E213-0471 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E213-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0471?
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What is the minimum amount of E213-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0471
  • 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 E213-0471 available by request