6280-0705 Screening compound: 7-isopropyl-1-[(1-methyl-2-oxo-2-piperidinoethyl)sulfanyl]-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

6280-0705 Screening compound: 7-isopropyl-1-[(1-methyl-2-oxo-2-piperidinoethyl)sulfanyl]-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
6280-0705 Screening compound: 7-isopropyl-1-[(1-methyl-2-oxo-2-piperidinoethyl)sulfanyl]-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 6280-0705
7-isopropyl-1-[(1-methyl-2-oxo-2-piperidinoethyl)sulfanyl]-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

6280-0705

Molecular Formula

C28H33N5O3S2 (C28 H33 N5 O3 S2)

Compound Name

7-isopropyl-1-[(1-methyl-2-oxo-2-piperidinoethyl)sulfanyl]-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)-3-{[1-oxo-1-(piperidin-1-yl)propan-2-yl]sulfanyl}-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)nnc1SC(C)C(N1CCCCC1)=O)c1ccc(C)cc1)=O)c3s2

InChI

InChI=1S/C28H33N5O3S2/c1-16(2)21-14-20-22(15-36-21)38-26-23(20)25(35)32(19-10-8-17(3)9-11-19)27-29-30-28(33(26)27)37-18(4)24(34)31-12-6-5-7-13-31/h8-11,16,18,21H,5-7,12-15H2,1-4H3

InChI Key

JLKPDKXSKORKKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03285134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.17

Polar Surface Area

64.344

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

6280-0705 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6280-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0705?
Check Price and Availability of 6280-0705, 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 6280-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0705
  • 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 6280-0705 available by request