F386-0847 Screening compound: 1-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}azepane

F386-0847 Screening compound: 1-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}azepane
F386-0847 Screening compound: 1-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound F386-0847
1-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}azepane

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

F386-0847

Molecular Formula

C19H20BrN5O2 (C19 H20 BrN5 O2)

Compound Name

1-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}azepane

IUPAC name

1-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-124-oxadiazole-5-carbonyl}azepane

SMILES

Cc(c(-c1noc(C(N2CCCCCC2)=O)n1)c1)nn1-c(cc1)ccc1Br

InChI

InChI=1S/C19H20BrN5O2/c1-13-16(12-25(22-13)15-8-6-14(20)7-9-15)17-21-18(27-23-17)19(26)24-10-4-2-3-5-11-24/h6-9,12H,2-5,10-11H2,1H3

InChI Key

LVCDAIPVLMOTOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.08

Polar Surface Area

63.606

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

F386-0847 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F386-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F386-0847?
Check Price and Availability of F386-0847, 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 F386-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F386-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F386-0847
  • 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 F386-0847 available by request