Y020-3221 Screening compound: 7-[1-(4-fluorophenyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

Y020-3221 Screening compound: 7-[1-(4-fluorophenyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Y020-3221 Screening compound: 7-[1-(4-fluorophenyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3221
7-[1-(4-fluorophenyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-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

Y020-3221

Molecular Formula

C16H12FN5O (C16 H12 FN5 O)

Compound Name

7-[1-(4-fluorophenyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

IUPAC name

11-[1-(4-fluorophenyl)ethyl]-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CC(c(cc1)ccc1F)N(C=Cc1c2cnc3ncnn13)C2=O

InChI

InChI=1S/C16H12FN5O/c1-10(11-2-4-12(17)5-3-11)21-7-6-14-13(15(21)23)8-18-16-19-9-20-22(14)16/h2-10H,1H3/t10-/m0/s1

InChI Key

UUUJBJJHXUIRDN-JTQLQIEISA-N

MDL Number (MFCD)

MFCD13872582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.676

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-1.96

Polar Surface Area

51.256

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

Y020-3221 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y020-3221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3221?
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What is the minimum amount of Y020-3221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3221
  • 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 Y020-3221 available by request