F486-1047 Screening compound: ethyl 1-{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-carbonyl}piperidine-4-carboxylate

F486-1047 Screening compound: ethyl 1-{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-carbonyl}piperidine-4-carboxylate
F486-1047 Screening compound: ethyl 1-{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-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-1047
ethyl 1-{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-carbonyl}piperidine-4-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

F486-1047

Molecular Formula

C22H24N6O6 (C22 H24 N6 O6)

Compound Name

ethyl 1-{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-carbonyl}piperidine-4-carboxylate

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(c1nc(C(C(N2C)=O)=NN(c3ccc(C)cc3)C2=O)no1)=O)=O

InChI

InChI=1S/C22H24N6O6/c1-4-33-21(31)14-9-11-27(12-10-14)20(30)18-23-17(25-34-18)16-19(29)26(3)22(32)28(24-16)15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3

InChI Key

MTXGSRPMRICGCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-2.50

Polar Surface Area

111.361

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with F486-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-1047?
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What is the minimum amount of F486-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-1047
  • 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 F486-1047 available by request