E213-0867 Screening compound: N~2~-(2-furylmethyl)-N~2~-(3-methoxypropyl)-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0867 Screening compound: N~2~-(2-furylmethyl)-N~2~-(3-methoxypropyl)-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0867 Screening compound: N~2~-(2-furylmethyl)-N~2~-(3-methoxypropyl)-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 E213-0867
N~2~-(2-furylmethyl)-N~2~-(3-methoxypropyl)-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

E213-0867

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(CCCOC)Cc2ccco2)=O)sc(N=C2N3CCCC2)c1C3=O

InChI

InChI=1S/C21H25N3O4S/c1-14-17-19(22-16-8-3-4-10-24(16)20(17)25)29-18(14)21(26)23(9-6-11-27-2)13-15-7-5-12-28-15/h5,7,12H,3-4,6,8-11,13H2,1-2H3

InChI Key

ZWSTYVYQGQOFOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-2.53

Polar Surface Area

58.572

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with E213-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0867?
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What is the minimum amount of E213-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0867
  • 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 E213-0867 available by request