F830-0191 Screening compound: 6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

F830-0191 Screening compound: 6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
F830-0191 Screening compound: 6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F830-0191
6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-fluorophenyl)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

F830-0191

Molecular Formula

C20H13BrFN7O2 (C20 H13 BrFN7 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2nc(-c(cc3)ccc3Br)no2)C=Nc2c1nnn2Cc1cc(F)ccc1

InChI

InChI=1S/C20H13BrFN7O2/c21-14-6-4-13(5-7-14)18-24-16(31-26-18)10-28-11-23-19-17(20(28)30)25-27-29(19)9-12-2-1-3-15(22)8-12/h1-8,11H,9-10H2

InChI Key

PSGRTAOHBFPQAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.83

Polar Surface Area

84.365

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F830-0191 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F830-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F830-0191?
Check Price and Availability of F830-0191, 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 F830-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F830-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F830-0191
  • 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 F830-0191 available by request