G827-0002 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propan-1-one

G827-0002 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propan-1-one
G827-0002 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G827-0002
1-(4-benzylpiperidin-1-yl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-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

G827-0002

Molecular Formula

C25H29N7O (C25 H29 N7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCC(N2CCC(Cc3ccccc3)CC2)=O)c(C)nn1-c(cc1)nn2c1nnc2

InChI

InChI=1S/C25H29N7O/c1-18-22(19(2)32(28-18)24-10-9-23-27-26-17-31(23)29-24)8-11-25(33)30-14-12-21(13-15-30)16-20-6-4-3-5-7-20/h3-7,9-10,17,21H,8,11-16H2,1-2H3

InChI Key

ZQYUOUQYMZZNJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.24

Polar Surface Area

63.050

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G827-0002 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G827-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G827-0002?
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What is the minimum amount of G827-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G827-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G827-0002
  • 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 G827-0002 available by request