E213-0894 Screening compound: N~2~-{3-[cyclopentyl(2-furylmethyl)amino]propyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0894 Screening compound: N~2~-{3-[cyclopentyl(2-furylmethyl)amino]propyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0894 Screening compound: N~2~-{3-[cyclopentyl(2-furylmethyl)amino]propyl}-3-methyl-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 E213-0894
N~2~-{3-[cyclopentyl(2-furylmethyl)amino]propyl}-3-methyl-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

E213-0894

Molecular Formula

C25H32N4O3S (C25 H32 N4 O3 S)

Compound Name

N~2~-{3-[cyclopentyl(2-furylmethyl)amino]propyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

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

SMILES

Cc1c(C(NCCCN(Cc2ccco2)C2CCCC2)=O)sc(N=C2N3CCCC2)c1C3=O

InChI

InChI=1S/C25H32N4O3S/c1-17-21-24(27-20-11-4-5-14-29(20)25(21)31)33-22(17)23(30)26-12-7-13-28(18-8-2-3-9-18)16-19-10-6-15-32-19/h6,10,15,18H,2-5,7-9,11-14,16H2,1H3,(H,26,30)

InChI Key

IGPLKGCETNYWFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-3.31

Polar Surface Area

61.487

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

E213-0894 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 E213-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0894?
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What is the minimum amount of E213-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0894
  • 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 E213-0894 available by request