Y020-4111 Screening compound: 7-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

Y020-4111 Screening compound: 7-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
Y020-4111 Screening compound: 7-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-4111
7-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[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

Y020-4111

Molecular Formula

C25H18F2N6O (C25 H18 F2 N6 O)

Compound Name

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

IUPAC name

11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-4-methyl-237811-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

Cc1nn2c(C=CN(CCc3c[nH]c(cc4)c3cc4F)C3=O)c3nnc2c1-c(cc1)ccc1F

InChI

InChI=1S/C25H18F2N6O/c1-14-22(15-2-4-17(26)5-3-15)24-30-29-23-21(33(24)31-14)9-11-32(25(23)34)10-8-16-13-28-20-7-6-18(27)12-19(16)20/h2-7,9,11-13,28H,8,10H2,1H3

InChI Key

DATKCHOUTXJGJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15196929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.45

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

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.40

Polar Surface Area

61.599

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

Y020-4111 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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:
  • Immune system
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-4111?
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What is the minimum amount of Y020-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-4111
  • 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 Y020-4111 available by request