G740-0226 Screening compound: 2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

G740-0226 Screening compound: 2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
G740-0226 Screening compound: 2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G740-0226
2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-{[4-(methylsulfanyl)phenyl]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

G740-0226

Molecular Formula

C23H22ClN5O2S (C23 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

2-[2-(4-chlorophenyl)-37-dimethyl-4-oxo-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

SMILES

Cc(n(-c(cc1)ccc1Cl)nc1C(C)=NN2CC(NCc(cc3)ccc3SC)=O)c1C2=O

InChI

InChI=1S/C23H22ClN5O2S/c1-14-22-21(15(2)29(27-22)18-8-6-17(24)7-9-18)23(31)28(26-14)13-20(30)25-12-16-4-10-19(32-3)11-5-16/h4-11H,12-13H2,1-3H3,(H,25,30)

InChI Key

ZEQWTLSREJONFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.78

Polar Surface Area

65.814

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G740-0226 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G740-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G740-0226?
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What is the minimum amount of G740-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G740-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G740-0226
  • 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 G740-0226 available by request