F486-0652 Screening compound: ethyl 1-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate

F486-0652 Screening compound: ethyl 1-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate
F486-0652 Screening compound: ethyl 1-{3-[2-(4-fluorophenyl)-4-methyl-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 F486-0652
ethyl 1-{3-[2-(4-fluorophenyl)-4-methyl-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

F486-0652

Molecular Formula

C21H21FN6O6 (C21 H21 FN6 O6)

Compound Name

ethyl 1-{3-[2-(4-fluorophenyl)-4-methyl-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-[2-(4-fluorophenyl)-4-methyl-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(c(cc3)ccc3F)C2=O)no1)=O)=O

InChI

InChI=1S/C21H21FN6O6/c1-3-33-20(31)12-8-10-27(11-9-12)19(30)17-23-16(25-34-17)15-18(29)26(2)21(32)28(24-15)14-6-4-13(22)5-7-14/h4-7,12H,3,8-11H2,1-2H3

InChI Key

ZEZGAPOBBKVJDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.43

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

1.869

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-2.23

Polar Surface Area

111.361

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with F486-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0652?
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What is the minimum amount of F486-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0652
  • 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 F486-0652 available by request