F386-0872 Screening compound: 2-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

F386-0872 Screening compound: 2-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline
F386-0872 Screening compound: 2-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound F386-0872
2-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

F386-0872

Molecular Formula

C22H18BrN5O2 (C22 H18 BrN5 O2)

Compound Name

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

IUPAC name

2-{3-[1-(4-bromophenyl)-3-methyl-1H-pyrazol-4-yl]-124-oxadiazole-5-carbonyl}-1234-tetrahydroisoquinoline

SMILES

Cc(c(-c1noc(C(N(CC2)Cc3c2cccc3)=O)n1)c1)nn1-c(cc1)ccc1Br

InChI

InChI=1S/C22H18BrN5O2/c1-14-19(13-28(25-14)18-8-6-17(23)7-9-18)20-24-21(30-26-20)22(29)27-11-10-15-4-2-3-5-16(15)12-27/h2-9,13H,10-12H2,1H3

InChI Key

YXUQHBFNGMDLTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.32

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

4.518

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.29

Polar Surface Area

62.937

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F386-0872 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F386-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F386-0872?
Check Price and Availability of F386-0872, 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 F386-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F386-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F386-0872
  • 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 F386-0872 available by request