F830-0521 Screening compound: 6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-fluorophenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

F830-0521 Screening compound: 6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-fluorophenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
F830-0521 Screening compound: 6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-fluorophenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F830-0521
6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-fluorophenyl)-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

F830-0521

Molecular Formula

C19H11BrFN7O2 (C19 H11 BrFN7 O2)

Compound Name

6-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-fluorophenyl)-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-(4-fluorophenyl)-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C1N(Cc2nc(-c(cc3)ccc3Br)no2)C=Nc2c1nnn2-c(cc1)ccc1F

InChI

InChI=1S/C19H11BrFN7O2/c20-12-3-1-11(2-4-12)17-23-15(30-25-17)9-27-10-22-18-16(19(27)29)24-26-28(18)14-7-5-13(21)6-8-14/h1-8,10H,9H2

InChI Key

JPXXZVZWQPAYSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-3.91

Polar Surface Area

84.501

Acid Dissociation Constant (pKa)

31.78

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

F830-0521 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F830-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F830-0521?
Check Price and Availability of F830-0521, 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 F830-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F830-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F830-0521
  • 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 F830-0521 available by request