Y020-9606 Screening compound: 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one

Y020-9606 Screening compound: 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Y020-9606 Screening compound: 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9606
2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one

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

Y020-9606

Molecular Formula

C16H11F3N6O (C16 H11 F3 N6 O)

Compound Name

2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one

IUPAC name

4-ethyl-11-[3-(trifluoromethyl)phenyl]-2357811-hexaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CCc1nn2c(C=CN(c3cccc(C(F)(F)F)c3)C3=O)c3nnc2n1

InChI

InChI=1S/C16H11F3N6O/c1-2-12-20-15-22-21-13-11(25(15)23-12)6-7-24(14(13)26)10-5-3-4-9(8-10)16(17,18)19/h3-8H,2H2,1H3

InChI Key

TUJIBRVVZYSOCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20504159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.56

Polar Surface Area

65.099

Acid Dissociation Constant (pKa)

30.01

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y020-9606 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y020-9606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9606?
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What is the minimum amount of Y020-9606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9606
  • 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 Y020-9606 available by request