Y021-2965 Screening compound: methyl 7-(4-methylphenyl)-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate

Y021-2965 Screening compound: methyl 7-(4-methylphenyl)-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
Y021-2965 Screening compound: methyl 7-(4-methylphenyl)-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2965
methyl 7-(4-methylphenyl)-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate

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

Y021-2965

Molecular Formula

C18H15N5O3S (C18 H15 N5 O3 S)

Compound Name

methyl 7-(4-methylphenyl)-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate

IUPAC name

methyl 11-(4-methylphenyl)-4-(methylsulfanyl)-10-oxo-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaene-13-carboxylate

SMILES

Cc(cc1)ccc1N(C=C(C(OC)=O)c1c2cnc3nc(SC)nn13)C2=O

InChI

InChI=1S/C18H15N5O3S/c1-10-4-6-11(7-5-10)22-9-13(16(25)26-2)14-12(15(22)24)8-19-17-20-18(27-3)21-23(14)17/h4-9H,1-3H3

InChI Key

GLCZNVONFJFITA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.56

Polar Surface Area

70.602

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y021-2965 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2965?
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What is the minimum amount of Y021-2965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2965
  • 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 Y021-2965 available by request