F834-0531 Screening compound: 2-{6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide

F834-0531 Screening compound: 2-{6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide
F834-0531 Screening compound: 2-{6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F834-0531
2-{6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide

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

F834-0531

Molecular Formula

C22H22FN5O3S (C22 H22 FN5 O3 S)

Compound Name

2-{6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide

IUPAC name

2-{6-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN(C=Nc1c2c(C)c(-c3nc(-c(cc4)ccc4F)no3)s1)C2=O)=O

InChI

InChI=1S/C22H22FN5O3S/c1-12(2)8-9-24-16(29)10-28-11-25-21-17(22(28)30)13(3)18(32-21)20-26-19(27-31-20)14-4-6-15(23)7-5-14/h4-7,11-12H,8-10H2,1-3H3,(H,24,29)

InChI Key

HGWRXSOYMHZHNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.797

Water Solubility, LogSw

-4.20

Polar Surface Area

82.232

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F834-0531 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F834-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F834-0531?
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What is the minimum amount of F834-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F834-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F834-0531
  • 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 F834-0531 available by request