Y020-9644 Screening compound: 7-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

Y020-9644 Screening compound: 7-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Y020-9644 Screening compound: 7-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9644
7-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)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

Y020-9644

Molecular Formula

C17H13N5O4 (C17 H13 N5 O4)

Compound Name

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

IUPAC name

11-(2H-13-benzodioxol-5-yl)-4-(methoxymethyl)-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

COCc(nc1nc2)nn1c(C=CN1c(cc3)cc4c3OCO4)c2C1=O

InChI

InChI=1S/C17H13N5O4/c1-24-8-15-19-17-18-7-11-12(22(17)20-15)4-5-21(16(11)23)10-2-3-13-14(6-10)26-9-25-13/h2-7H,8-9H2,1H3

InChI Key

BANREHJAQAHGEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20503744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.989

Distribution Coefficient, logD

0.989

Water Solubility, LogSw

-2.03

Polar Surface Area

76.893

Acid Dissociation Constant (pKa)

30.96

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y020-9644 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-9644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9644?
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What is the minimum amount of Y020-9644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9644
  • 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 Y020-9644 available by request