G827-0214 Screening compound: 3-(3,5-dimethyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

G827-0214 Screening compound: 3-(3,5-dimethyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
G827-0214 Screening compound: 3-(3,5-dimethyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G827-0214
3-(3,5-dimethyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

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

G827-0214

Molecular Formula

C21H20F3N7O2 (C21 H20 F3 N7 O2)

Compound Name

3-(3,5-dimethyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

IUPAC name

3-(35-dimethyl-1-{3-methyl-[124]triazolo[43-b]pyridazin-6-yl}-1H-pyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

SMILES

Cc1c(CCC(Nc(cc2)ccc2OC(F)(F)F)=O)c(C)nn1-c(cc1)nn2c1nnc2C

InChI

InChI=1S/C21H20F3N7O2/c1-12-17(8-11-20(32)25-15-4-6-16(7-5-15)33-21(22,23)24)13(2)30(28-12)19-10-9-18-27-26-14(3)31(18)29-19/h4-7,9-10H,8,11H2,1-3H3,(H,25,32)

InChI Key

JVVSEFLMYBBMSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.920

Water Solubility, LogSw

-3.54

Polar Surface Area

76.142

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G827-0214 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G827-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G827-0214?
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What is the minimum amount of G827-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G827-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G827-0214
  • 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 G827-0214 available by request