6280-0566 Screening compound: 7-isopropyl-1-[(1-methyl-2-morpholino-2-oxoethyl)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

6280-0566 Screening compound: 7-isopropyl-1-[(1-methyl-2-morpholino-2-oxoethyl)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
6280-0566 Screening compound: 7-isopropyl-1-[(1-methyl-2-morpholino-2-oxoethyl)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 6280-0566
7-isopropyl-1-[(1-methyl-2-morpholino-2-oxoethyl)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

6280-0566

Molecular Formula

C27H31N5O4S2 (C27 H31 N5 O4 S2)

Compound Name

7-isopropyl-1-[(1-methyl-2-morpholino-2-oxoethyl)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-(morpholin-4-yl)-1-oxopropan-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(N1CCOCC1)=O)c1ccc(C)cc1)=O)c3s2

InChI

InChI=1S/C27H31N5O4S2/c1-15(2)20-13-19-21(14-36-20)38-25-22(19)24(34)31(18-7-5-16(3)6-8-18)26-28-29-27(32(25)26)37-17(4)23(33)30-9-11-35-12-10-30/h5-8,15,17,20H,9-14H2,1-4H3

InChI Key

SIQKUFFXLJMGAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.29

Polar Surface Area

72.253

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

6280-0566 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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:
  • 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 6280-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0566?
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What is the minimum amount of 6280-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0566
  • 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 6280-0566 available by request