Y020-3336 Screening compound: 7-[2-(1H-indol-3-yl)ethyl]-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

Y020-3336 Screening compound: 7-[2-(1H-indol-3-yl)ethyl]-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
Y020-3336 Screening compound: 7-[2-(1H-indol-3-yl)ethyl]-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3336
7-[2-(1H-indol-3-yl)ethyl]-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][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

Y020-3336

Molecular Formula

C24H18N6O (C24 H18 N6 O)

Compound Name

7-[2-(1H-indol-3-yl)ethyl]-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

IUPAC name

11-[2-(1H-indol-3-yl)ethyl]-5-phenyl-237811-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

O=C1N(CCc2c[nH]c3c2cccc3)C=Cc(n2nc3)c1nnc2c3-c1ccccc1

InChI

InChI=1S/C24H18N6O/c31-24-22-21(30-23(28-27-22)19(15-26-30)16-6-2-1-3-7-16)11-13-29(24)12-10-17-14-25-20-9-5-4-8-18(17)20/h1-9,11,13-15,25H,10,12H2

InChI Key

WXMYAVCAGGDXQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15196170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.711

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-4.64

Polar Surface Area

61.246

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

Y020-3336 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-3336 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-3336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3336
  • 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 Y020-3336 available by request