F486-1134 Screening compound: ethyl 4-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-amido}piperidine-1-carboxylate

F486-1134 Screening compound: ethyl 4-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-amido}piperidine-1-carboxylate
F486-1134 Screening compound: ethyl 4-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-amido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-1134
ethyl 4-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-amido}piperidine-1-carboxylate

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

F486-1134

Molecular Formula

C22H25N7O6 (C22 H25 N7 O6)

Compound Name

ethyl 4-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-amido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{3-[4-methyl-2-(4-methylphenyl)-35-dioxo-2345-tetrahydro-124-triazin-6-yl]-124-oxadiazole-5-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1nc(C(C(N2C)=O)=NN(c3ccc(C)cc3)C2=O)no1)=O)=O

InChI

InChI=1S/C22H25N7O6/c1-4-34-22(33)28-11-9-14(10-12-28)23-18(30)19-24-17(26-35-19)16-20(31)27(3)21(32)29(25-16)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3,(H,23,30)

InChI Key

CXSOFZKNRRQPNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.176

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.65

Polar Surface Area

120.878

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F486-1134 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 F486-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-1134?
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What is the minimum amount of F486-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-1134
  • 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 F486-1134 available by request