F830-0624 Screening compound: 3-(4-ethoxyphenyl)-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

F830-0624 Screening compound: 3-(4-ethoxyphenyl)-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
F830-0624 Screening compound: 3-(4-ethoxyphenyl)-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 F830-0624
3-(4-ethoxyphenyl)-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

F830-0624

Molecular Formula

C19H15N7O3S (C19 H15 N7 O3 S)

Compound Name

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

SMILES

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

InChI

InChI=1S/C19H15N7O3S/c1-2-28-13-7-5-12(6-8-13)26-18-16(22-24-26)19(27)25(11-20-18)10-15-21-17(23-29-15)14-4-3-9-30-14/h3-9,11H,2,10H2,1H3

InChI Key

NFXJSBXRPGLTBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.10

Polar Surface Area

92.643

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F830-0624 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 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 F830-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F830-0624?
Check Price and Availability of F830-0624, 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 F830-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F830-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F830-0624
  • 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 F830-0624 available by request