E213-0851 Screening compound: 3-methyl-N~2~-(4-methyl-2-oxo-2H-chromen-7-yl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0851 Screening compound: 3-methyl-N~2~-(4-methyl-2-oxo-2H-chromen-7-yl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0851 Screening compound: 3-methyl-N~2~-(4-methyl-2-oxo-2H-chromen-7-yl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0851
3-methyl-N~2~-(4-methyl-2-oxo-2H-chromen-7-yl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

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

E213-0851

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

3-methyl-N~2~-(4-methyl-2-oxo-2H-chromen-7-yl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

4-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-triene-5-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc(O3)c2C(C)=CC3=O)=O)sc(N=C2N3CCCC2)c1C3=O

InChI

InChI=1S/C22H19N3O4S/c1-11-9-17(26)29-15-10-13(6-7-14(11)15)23-20(27)19-12(2)18-21(30-19)24-16-5-3-4-8-25(16)22(18)28/h6-7,9-10H,3-5,8H2,1-2H3,(H,23,27)

InChI Key

LGIOWJUCKLRFBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-3.40

Polar Surface Area

69.790

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E213-0851 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E213-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0851?
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What is the minimum amount of E213-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0851
  • 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 E213-0851 available by request