C066-5420 Screening compound: 2-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-4-yl]acetic acid

C066-5420 Screening compound: 2-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-4-yl]acetic acid
C066-5420 Screening compound: 2-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-4-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5420
2-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-4-yl]acetic acid

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

C066-5420

Molecular Formula

C16H15N5O5 (C16 H15 N5 O5)

Compound Name

2-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-4-yl]acetic acid

IUPAC name

2-[6-(5-ethyl-124-oxadiazol-3-yl)-2-(4-methylphenyl)-35-dioxo-2345-tetrahydro-124-triazin-4-yl]acetic acid

SMILES

CCc1nc(C(C(N2CC(O)=O)=O)=NN(c3ccc(C)cc3)C2=O)no1

InChI

InChI=1S/C16H15N5O5/c1-3-11-17-14(19-26-11)13-15(24)20(8-12(22)23)16(25)21(18-13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,22,23)

InChI Key

WJEMUNFNQRGQGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.006

Distribution Coefficient, logD

-2.719

Water Solubility, LogSw

-1.99

Polar Surface Area

102.243

Acid Dissociation Constant (pKa)

3.68

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C066-5420 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-5420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5420?
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What is the minimum amount of C066-5420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5420
  • 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 C066-5420 available by request