E213-0940 Screening compound: 2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-3-methyl-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one

E213-0940 Screening compound: 2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-3-methyl-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
E213-0940 Screening compound: 2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-3-methyl-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0940
2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-3-methyl-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-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

E213-0940

Molecular Formula

C22H24N4O3S (C22 H24 N4 O3 S)

Compound Name

2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-3-methyl-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one

IUPAC name

5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-6-thia-18-diazatricyclo[7.3.0.0^{37}]dodeca-3(7)48-trien-2-one

SMILES

Cc1c(C(N(CC2)CCN2c(cccc2)c2OC)=O)sc(N=C2N3CCC2)c1C3=O

InChI

InChI=1S/C22H24N4O3S/c1-14-18-20(23-17-8-5-9-26(17)21(18)27)30-19(14)22(28)25-12-10-24(11-13-25)15-6-3-4-7-16(15)29-2/h3-4,6-7H,5,8-13H2,1-2H3

InChI Key

KPSLRRIDBQZZSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-2.41

Polar Surface Area

53.895

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E213-0940 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E213-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0940?
Check Price and Availability of E213-0940, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E213-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0940
  • 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 E213-0940 available by request