G827-0031 Screening compound: 3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

G827-0031 Screening compound: 3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
G827-0031 Screening compound: 3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-1-(4-methylpiperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G827-0031
3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-1-(4-methylpiperidin-1-yl)propan-1-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

G827-0031

Molecular Formula

C19H25N7O (C19 H25 N7 O)

Compound Name

3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

IUPAC name

3-(35-dimethyl-1-{[124]triazolo[43-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

SMILES

CC(CC1)CCN1C(CCc1c(C)n(-c(cc2)nn3c2nnc3)nc1C)=O

InChI

InChI=1S/C19H25N7O/c1-13-8-10-24(11-9-13)19(27)7-4-16-14(2)22-26(15(16)3)18-6-5-17-21-20-12-25(17)23-18/h5-6,12-13H,4,7-11H2,1-3H3

InChI Key

PLDSFKWTOCPSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-1.76

Polar Surface Area

63.322

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

G827-0031 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G827-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G827-0031?
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What is the minimum amount of G827-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G827-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G827-0031
  • 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 G827-0031 available by request