F830-0986 Screening compound: 6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

F830-0986 Screening compound: 6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
F830-0986 Screening compound: 6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F830-0986
6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)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

F830-0986

Molecular Formula

C20H12BrF2N7O2 (C20 H12 BrF2 N7 O2)

Compound Name

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

IUPAC name

6-{[3-(3-bromophenyl)-124-oxadiazol-5-yl]methyl}-3-[(35-difluorophenyl)methyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C1N(Cc2nc(-c3cccc(Br)c3)no2)C=Nc2c1nnn2Cc1cc(F)cc(F)c1

InChI

InChI=1S/C20H12BrF2N7O2/c21-13-3-1-2-12(6-13)18-25-16(32-27-18)9-29-10-24-19-17(20(29)31)26-28-30(19)8-11-4-14(22)7-15(23)5-11/h1-7,10H,8-9H2

InChI Key

WPNRWHWQDWCHRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.26

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

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.10

Polar Surface Area

84.365

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F830-0986 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F830-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F830-0986?
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What is the minimum amount of F830-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F830-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F830-0986
  • 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 F830-0986 available by request