D043-0092 Screening compound: 5,6-dimethyl-2-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D043-0092 Screening compound: 5,6-dimethyl-2-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D043-0092 Screening compound: 5,6-dimethyl-2-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0092
5,6-dimethyl-2-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D043-0092

Molecular Formula

C12H11N5O (C12 H11 N5 O)

Compound Name

5,6-dimethyl-2-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

56-dimethyl-2-(pyridin-3-yl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC1=C(C)Nc2nc(-c3cnccc3)nn2C1=O

InChI

InChI=1S/C12H11N5O/c1-7-8(2)14-12-15-10(16-17(12)11(7)18)9-4-3-5-13-6-9/h3-6H,1-2H3,(H,14,15,16)

InChI Key

JVIBEDPKSLZFNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06611794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.931

Distribution Coefficient, logD

0.707

Water Solubility, LogSw

-1.06

Polar Surface Area

59.769

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D043-0092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D043-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0092?
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What is the minimum amount of D043-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0092
  • 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 D043-0092 available by request