E213-0527 Screening compound: 2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one

E213-0527 Screening compound: 2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
E213-0527 Screening compound: 2-(2,3-dihydro-1H-indol-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 E213-0527
2-(2,3-dihydro-1H-indol-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

E213-0527

Molecular Formula

C21H21N3O2S (C21 H21 N3 O2 S)

Compound Name

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

IUPAC name

5-(23-dihydro-1H-indole-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)c3c2cccc3)=O)sc(N=C2N3CCCCC2)c1C3=O

InChI

InChI=1S/C21H21N3O2S/c1-13-17-19(22-16-9-3-2-6-11-24(16)20(17)25)27-18(13)21(26)23-12-10-14-7-4-5-8-15(14)23/h4-5,7-8H,2-3,6,9-12H2,1H3

InChI Key

LHSBKFKKISZANC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

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

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.66

Polar Surface Area

42.301

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E213-0527 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E213-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0527?
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What is the minimum amount of E213-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0527
  • 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 E213-0527 available by request