8640-0437 Screening compound: 7-isopropyl-1-(isopropylsulfanyl)-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

8640-0437 Screening compound: 7-isopropyl-1-(isopropylsulfanyl)-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
8640-0437 Screening compound: 7-isopropyl-1-(isopropylsulfanyl)-4-(4-methylphenyl)-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 8640-0437
7-isopropyl-1-(isopropylsulfanyl)-4-(4-methylphenyl)-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

8640-0437

Molecular Formula

C23H26N4O2S2 (C23 H26 N4 O2 S2)

Compound Name

7-isopropyl-1-(isopropylsulfanyl)-4-(4-methylphenyl)-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-methylphenyl)-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)c1ccc(C)cc1)=O)c3s2

InChI

InChI=1S/C23H26N4O2S2/c1-12(2)17-10-16-18(11-29-17)31-21-19(16)20(28)26(15-8-6-14(5)7-9-15)22-24-25-23(27(21)22)30-13(3)4/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1

InChI Key

BBSPJQJPPJNELB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03284644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.441

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.46

Polar Surface Area

47.696

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

8640-0437 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • 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 8640-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0437?
Check Price and Availability of 8640-0437, 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 8640-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0437
  • 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 8640-0437 available by request