C066-5446 Screening compound: ethyl 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-carboxylate

C066-5446 Screening compound: ethyl 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-carboxylate
C066-5446 Screening compound: ethyl 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-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5446
ethyl 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-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

C066-5446

Molecular Formula

C15H12FN5O5 (C15 H12 FN5 O5)

Compound Name

ethyl 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-carboxylate

IUPAC name

ethyl 3-[2-(4-fluorophenyl)-4-methyl-35-dioxo-2345-tetrahydro-124-triazin-6-yl]-124-oxadiazole-5-carboxylate

SMILES

CCOC(c1nc(C(C(N2C)=O)=NN(c(cc3)ccc3F)C2=O)no1)=O

InChI

InChI=1S/C15H12FN5O5/c1-3-25-14(23)12-17-11(19-26-12)10-13(22)20(2)15(24)21(18-10)9-6-4-8(16)5-7-9/h4-7H,3H2,1-2H3

InChI Key

LRYYIFDNRKXGBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-2.37

Polar Surface Area

94.713

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C066-5446 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C066-5446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5446?
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What is the minimum amount of C066-5446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5446
  • 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 C066-5446 available by request