F834-0513 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-[(furan-2-yl)methyl]acetamide

F834-0513 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-[(furan-2-yl)methyl]acetamide
F834-0513 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-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F834-0513
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-[(furan-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

F834-0513

Molecular Formula

C22H16FN5O4S (C22 H16 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-[(furan-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-[(furan-2-yl)methyl]acetamide

SMILES

Cc1c(-c2nc(-c(cc3)ccc3F)no2)sc(N=CN2CC(NCc3ccco3)=O)c1C2=O

InChI

InChI=1S/C22H16FN5O4S/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/h2-8,11H,9-10H2,1H3,(H,24,29)

InChI Key

ZSDPHLUKQAZQEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.46

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

3.680

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-4.16

Polar Surface Area

89.867

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F834-0513 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 F834-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F834-0513?
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What is the minimum amount of F834-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F834-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F834-0513
  • 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 F834-0513 available by request