E213-0346 Screening compound: 3-methyl-2-(1-pyrrolidinylcarbonyl)-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one

E213-0346 Screening compound: 3-methyl-2-(1-pyrrolidinylcarbonyl)-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
E213-0346 Screening compound: 3-methyl-2-(1-pyrrolidinylcarbonyl)-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 E213-0346
3-methyl-2-(1-pyrrolidinylcarbonyl)-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

E213-0346

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N2CCCC2)=O)sc(N=C2N3CCCCC2)c1C3=O

InChI

InChI=1S/C17H21N3O2S/c1-11-13-15(23-14(11)17(22)19-8-5-6-9-19)18-12-7-3-2-4-10-20(12)16(13)21/h2-10H2,1H3

InChI Key

DWJWAFLBCXVHKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.15

Polar Surface Area

43.636

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

E213-0346 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E213-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0346?
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What is the minimum amount of E213-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0346
  • 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 E213-0346 available by request