F816-0891 Screening compound: 4-isopentyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0891 Screening compound: 4-isopentyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0891 Screening compound: 4-isopentyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F816-0891
4-isopentyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

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

F816-0891

Molecular Formula

C23H25N5O3S (C23 H25 N5 O3 S)

Compound Name

4-isopentyl-2-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

8-(3-methylbutyl)-11-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CC(C)CCN(C(N1c2c3scc2)=NN(Cc(cc2)ccc2N(CCC2)C2=O)C1=O)C3=O

InChI

InChI=1S/C23H25N5O3S/c1-15(2)9-12-26-21(30)20-18(10-13-32-20)28-22(26)24-27(23(28)31)14-16-5-7-17(8-6-16)25-11-3-4-19(25)29/h5-8,10,13,15H,3-4,9,11-12,14H2,1-2H3

InChI Key

JWIDQBMCPDREJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-3.81

Polar Surface Area

66.020

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F816-0891 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F816-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0891?
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What is the minimum amount of F816-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0891
  • 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 F816-0891 available by request