G827-0091 Screening compound: methyl 4-[3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamido]benzoate

G827-0091 Screening compound: methyl 4-[3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamido]benzoate
G827-0091 Screening compound: methyl 4-[3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G827-0091
methyl 4-[3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamido]benzoate

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

G827-0091

Molecular Formula

C21H21N7O3 (C21 H21 N7 O3)

Compound Name

methyl 4-[3-(3,5-dimethyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamido]benzoate

IUPAC name

methyl 4-[3-(35-dimethyl-1-{[124]triazolo[43-b]pyridazin-6-yl}-1H-pyrazol-4-yl)propanamido]benzoate

SMILES

Cc1c(CCC(Nc(cc2)ccc2C(OC)=O)=O)c(C)nn1-c(cc1)nn2c1nnc2

InChI

InChI=1S/C21H21N7O3/c1-13-17(8-11-20(29)23-16-6-4-15(5-7-16)21(30)31-3)14(2)28(25-13)19-10-9-18-24-22-12-27(18)26-19/h4-7,9-10,12H,8,11H2,1-3H3,(H,23,29)

InChI Key

HURYTLHCKAVULJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.803

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-2.22

Polar Surface Area

91.253

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with G827-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G827-0091?
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What is the minimum amount of G827-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G827-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G827-0091
  • 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 G827-0091 available by request