F084-0558 Screening compound: 3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-pyridylmethyl)propanamide

F084-0558 Screening compound: 3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-pyridylmethyl)propanamide
F084-0558 Screening compound: 3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-pyridylmethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0558
3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-pyridylmethyl)propanamide

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

F084-0558

Molecular Formula

C19H20N6O2S (C19 H20 N6 O2 S)

Compound Name

3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-pyridylmethyl)propanamide

IUPAC name

3-{7-oxo-8-propyl-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}-N-[(pyridin-3-yl)methyl]propanamide

SMILES

CCCN(c1nnc(CCC(NCc2cnccc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C19H20N6O2S/c1-2-9-24-18(27)17-14(7-10-28-17)25-15(22-23-19(24)25)5-6-16(26)21-12-13-4-3-8-20-11-13/h3-4,7-8,10-11H,2,5-6,9,12H2,1H3,(H,21,26)

InChI Key

HMZGRMRYOUPPAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.072

Distribution Coefficient, logD

1.069

Water Solubility, LogSw

-1.49

Polar Surface Area

74.964

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F084-0558 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F084-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0558?
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What is the minimum amount of F084-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0558
  • 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 F084-0558 available by request