Y021-2957 Screening compound: 2-methyl-6H-chromeno[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6-one

Y021-2957 Screening compound: 2-methyl-6H-chromeno[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6-one
Y021-2957 Screening compound: 2-methyl-6H-chromeno[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2957
2-methyl-6H-chromeno[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6-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

Y021-2957

Molecular Formula

C12H7N5O2 (C12 H7 N5 O2)

Compound Name

2-methyl-6H-chromeno[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6-one

IUPAC name

15-methyl-8-oxa-1112141617-pentaazatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-1(10)2(7)35111315-heptaen-9-one

SMILES

Cc1nn2c(-c(cccc3)c3OC3=O)c3nnc2n1

InChI

InChI=1S/C12H7N5O2/c1-6-13-12-15-14-9-10(17(12)16-6)7-4-2-3-5-8(7)19-11(9)18/h2-5H,1H3

InChI Key

MLEGUJZOMXPDOB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.110

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.84

Polar Surface Area

69.198

Acid Dissociation Constant (pKa)

33.63

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

Y021-2957 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-2957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2957?
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What is the minimum amount of Y021-2957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2957
  • 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 Y021-2957 available by request