6280-0837 Screening compound: 1-(allylsulfanyl)-7-isopropyl-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

6280-0837 Screening compound: 1-(allylsulfanyl)-7-isopropyl-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
6280-0837 Screening compound: 1-(allylsulfanyl)-7-isopropyl-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 6280-0837
1-(allylsulfanyl)-7-isopropyl-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

6280-0837

Molecular Formula

C23H24N4O3S2 (C23 H24 N4 O3 S2)

Compound Name

1-(allylsulfanyl)-7-isopropyl-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)-3-(prop-2-en-1-ylsulfanyl)-12-(propan-2-yl)-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)nnc1SCC=C)c(cc1)ccc1OC)=O)c3s2

InChI

InChI=1S/C23H24N4O3S2/c1-5-10-31-23-25-24-22-26(14-6-8-15(29-4)9-7-14)20(28)19-16-11-17(13(2)3)30-12-18(16)32-21(19)27(22)23/h5-9,13,17H,1,10-12H2,2-4H3/t17-/m1/s1

InChI Key

SHVSDJLABFRIAU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03284023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-4.79

Polar Surface Area

55.240

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

6280-0837 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6280-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0837?
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What is the minimum amount of 6280-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0837
  • 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 6280-0837 available by request