5282-0959 Screening compound: 1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbothioamide

5282-0959 Screening compound: 1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbothioamide
5282-0959 Screening compound: 1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-0959
1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbothioamide

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

5282-0959

Molecular Formula

C18H21N5O2S (C18 H21 N5 O2 S)

Compound Name

1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbothioamide

IUPAC name

7-(3-ethoxypropyl)-6-imino-11-methyl-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbothioamide

SMILES

CCOCCCN(C(C(C(N)=S)=C1)=N)C(N=C2N3C=CC=C2C)=C1C3=O

InChI

InChI=1S/C18H21N5O2S/c1-3-25-9-5-8-22-14(19)12(15(20)26)10-13-17(22)21-16-11(2)6-4-7-23(16)18(13)24/h4,6-7,10,19H,3,5,8-9H2,1-2H3,(H2,20,26)

InChI Key

FNYOQWPTWAKZSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03510270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.828

Distribution Coefficient, logD

0.671

Water Solubility, LogSw

-1.56

Polar Surface Area

70.970

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5282-0959 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5282-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0959?
Check Price and Availability of 5282-0959, 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 5282-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0959
  • 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 5282-0959 available by request