6280-0710 Screening compound: 7-isopropyl-1-(isopropylsulfanyl)-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

6280-0710 Screening compound: 7-isopropyl-1-(isopropylsulfanyl)-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
6280-0710 Screening compound: 7-isopropyl-1-(isopropylsulfanyl)-4-(4-methoxyphenyl)-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 6280-0710
7-isopropyl-1-(isopropylsulfanyl)-4-(4-methoxyphenyl)-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

6280-0710

Molecular Formula

C23H26N4O3S2 (C23 H26 N4 O3 S2)

Compound Name

7-isopropyl-1-(isopropylsulfanyl)-4-(4-methoxyphenyl)-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

7-(4-methoxyphenyl)-12-(propan-2-yl)-3-(propan-2-ylsulfanyl)-13-oxa-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

CC(C)C(C1)OCc2c1c(C(N(c(n1-3)nnc1SC(C)C)c(cc1)ccc1OC)=O)c3s2

InChI

InChI=1S/C23H26N4O3S2/c1-12(2)17-10-16-18(11-30-17)32-21-19(16)20(28)26(14-6-8-15(29-5)9-7-14)22-24-25-23(27(21)22)31-13(3)4/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1

InChI Key

ANVDQTDIUPMMPB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03010178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.80

Polar Surface Area

55.240

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

6280-0710 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6280-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0710?
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What is the minimum amount of 6280-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0710
  • 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 6280-0710 available by request