G740-1047 Screening compound: 2-{3,7-dimethyl-4-oxo-2-phenyl-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

G740-1047 Screening compound: 2-{3,7-dimethyl-4-oxo-2-phenyl-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide
G740-1047 Screening compound: 2-{3,7-dimethyl-4-oxo-2-phenyl-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G740-1047
2-{3,7-dimethyl-4-oxo-2-phenyl-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

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

G740-1047

Molecular Formula

C20H21N7O2 (C20 H21 N7 O2)

Compound Name

2-{3,7-dimethyl-4-oxo-2-phenyl-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

IUPAC name

2-{37-dimethyl-4-oxo-2-phenyl-2H4H5H-pyrazolo[34-d]pyridazin-5-yl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

SMILES

Cc(n(-c1ccccc1)nc1C(C)=NN2CC(NCc3c[nH]nc3C)=O)c1C2=O

InChI

InChI=1S/C20H21N7O2/c1-12-15(10-22-23-12)9-21-17(28)11-26-20(29)18-14(3)27(16-7-5-4-6-8-16)25-19(18)13(2)24-26/h4-8,10H,9,11H2,1-3H3,(H,21,28)(H,22,23)

InChI Key

AANLADKCQHQUCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.279

Distribution Coefficient, logD

1.279

Water Solubility, LogSw

-2.13

Polar Surface Area

90.082

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G740-1047 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G740-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G740-1047?
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What is the minimum amount of G740-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G740-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G740-1047
  • 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 G740-1047 available by request