F834-0533 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-[(oxolan-2-yl)methyl]acetamide

F834-0533 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-[(oxolan-2-yl)methyl]acetamide
F834-0533 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-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F834-0533
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-[(oxolan-2-yl)methyl]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

F834-0533

Molecular Formula

C22H20FN5O4S (C22 H20 FN5 O4 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-[(oxolan-2-yl)methyl]acetamide

IUPAC name

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

SMILES

Cc1c(-c2nc(-c(cc3)ccc3F)no2)sc(N=CN2CC(NCC3OCCC3)=O)c1C2=O

InChI

InChI=1S/C22H20FN5O4S/c1-12-17-21(25-11-28(22(17)30)10-16(29)24-9-15-3-2-8-31-15)33-18(12)20-26-19(27-32-20)13-4-6-14(23)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,24,29)/t15-/m1/s1

InChI Key

PAQCFHHMTPBVMI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27197877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-2.69

Polar Surface Area

90.773

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

F834-0533 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 F834-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F834-0533?
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What is the minimum amount of F834-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F834-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F834-0533
  • 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 F834-0533 available by request