G827-0075 Screening compound: N-(2-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamide

G827-0075 Screening compound: N-(2-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamide
G827-0075 Screening compound: N-(2-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G827-0075
N-(2-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)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

G827-0075

Molecular Formula

C19H17ClFN7O (C19 H17 ClFN7 O)

Compound Name

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

IUPAC name

N-(2-chloro-4-fluorophenyl)-3-(35-dimethyl-1-{[124]triazolo[43-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamide

SMILES

Cc1c(CCC(Nc(ccc(F)c2)c2Cl)=O)c(C)nn1-c(cc1)nn2c1nnc2

InChI

InChI=1S/C19H17ClFN7O/c1-11-14(4-8-19(29)23-16-5-3-13(21)9-15(16)20)12(2)28(25-11)18-7-6-17-24-22-10-27(17)26-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,23,29)

InChI Key

JMWRBLKTUDUQKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.145

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-3.08

Polar Surface Area

69.381

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G827-0075 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G827-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G827-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G827-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G827-0075
  • 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 G827-0075 available by request