F084-0728 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]propanamide

F084-0728 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]propanamide
F084-0728 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0728
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]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

F084-0728

Molecular Formula

C21H23N5O2S2 (C21 H23 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(c1nnc(CCC(Nc2cc(SC)ccc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C21H23N5O2S2/c1-3-4-11-25-20(28)19-16(10-12-30-19)26-17(23-24-21(25)26)8-9-18(27)22-14-6-5-7-15(13-14)29-2/h5-7,10,12-13H,3-4,8-9,11H2,1-2H3,(H,22,27)

InChI Key

USKSYJLGNPCTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-3.80

Polar Surface Area

64.124

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F084-0728 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F084-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0728?
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What is the minimum amount of F084-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0728
  • 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 F084-0728 available by request