F486-1145 Screening compound: 3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

F486-1145 Screening compound: 3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
F486-1145 Screening compound: 3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-1145
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

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

F486-1145

Molecular Formula

C25H25N7O4 (C25 H25 N7 O4)

Compound Name

3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[4-methyl-2-(4-methylphenyl)-35-dioxo-2345-tetrahydro-124-triazin-6-yl]-N-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

Cc(cc1)ccc1N(C(N1C)=O)N=C(c2noc(C(NCCN(CC3)Cc4c3cccc4)=O)n2)C1=O

InChI

InChI=1S/C25H25N7O4/c1-16-7-9-19(10-8-16)32-25(35)30(2)24(34)20(28-32)21-27-23(36-29-21)22(33)26-12-14-31-13-11-17-5-3-4-6-18(17)15-31/h3-10H,11-15H2,1-2H3,(H,26,33)

InChI Key

VCPINQFAJPPHNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.519

Water Solubility, LogSw

-3.31

Polar Surface Area

101.859

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F486-1145 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 F486-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-1145?
Check Price and Availability of F486-1145, 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 F486-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-1145
  • 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 F486-1145 available by request