6280-0603 Screening compound: 7-ISOPROPYL-4-(4-METHYLPHENYL)-1-(METHYLSULFANYL)-6,9-DIHYDRO-7H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-5(4H)-ONE

6280-0603 Screening compound: 7-ISOPROPYL-4-(4-METHYLPHENYL)-1-(METHYLSULFANYL)-6,9-DIHYDRO-7H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-5(4H)-ONE
6280-0603 Screening compound: 7-ISOPROPYL-4-(4-METHYLPHENYL)-1-(METHYLSULFANYL)-6,9-DIHYDRO-7H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-5(4H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6280-0603
7-ISOPROPYL-4-(4-METHYLPHENYL)-1-(METHYLSULFANYL)-6,9-DIHYDRO-7H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-5(4H)-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

6280-0603

Molecular Formula

C21H22N4O2S2 (C21 H22 N4 O2 S2)

Compound Name

7-ISOPROPYL-4-(4-METHYLPHENYL)-1-(METHYLSULFANYL)-6,9-DIHYDRO-7H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-5(4H)-ONE

IUPAC name

n/a

SMILES

CC(C)C(C1)OCc2c1c(C(N(c(n1-3)nnc1SC)c1ccc(C)cc1)=O)c3s2

InChI

InChI=1S/C21H22N4O2S2/c1-11(2)15-9-14-16(10-27-15)29-19-17(14)18(26)24(13-7-5-12(3)6-8-13)20-22-23-21(28-4)25(19)20/h5-8,11,15H,9-10H2,1-4H3/t15-/m1/s1

InChI Key

VRKOASDRBNQPPH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02986124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.56

Polar Surface Area

47.696

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

6280-0603 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6280-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0603?
Check Price and Availability of 6280-0603, 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 6280-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0603
  • 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 6280-0603 available by request