F830-0564 Screening compound: 3-(4-methoxyphenyl)-6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

F830-0564 Screening compound: 3-(4-methoxyphenyl)-6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
F830-0564 Screening compound: 3-(4-methoxyphenyl)-6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F830-0564
3-(4-methoxyphenyl)-6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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

F830-0564

Molecular Formula

C18H13N7O3S (C18 H13 N7 O3 S)

Compound Name

3-(4-methoxyphenyl)-6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-(4-methoxyphenyl)-6-{[3-(thiophen-2-yl)-124-oxadiazol-5-yl]methyl}-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

COc(cc1)ccc1-n1nnc2c1N=CN(Cc1nc(-c3cccs3)no1)C2=O

InChI

InChI=1S/C18H13N7O3S/c1-27-12-6-4-11(5-7-12)25-17-15(21-23-25)18(26)24(10-19-17)9-14-20-16(22-28-14)13-3-2-8-29-13/h2-8,10H,9H2,1H3

InChI Key

JMVVDQRQNJCQSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-2.66

Polar Surface Area

93.063

Acid Dissociation Constant (pKa)

31.72

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F830-0564 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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:
  • 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 F830-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F830-0564?
Check Price and Availability of F830-0564, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F830-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F830-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F830-0564
  • 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 F830-0564 available by request