G740-0088 Screening compound: methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate

G740-0088 Screening compound: methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate
G740-0088 Screening compound: methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G740-0088
methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}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

G740-0088

Molecular Formula

C23H20ClN5O4 (C23 H20 ClN5 O4)

Compound Name

methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[2-(4-chlorophenyl)-37-dimethyl-4-oxo-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]acetamido}benzoate

SMILES

Cc(n(-c(cc1)ccc1Cl)nc1C(C)=NN2CC(Nc(cccc3)c3C(OC)=O)=O)c1C2=O

InChI

InChI=1S/C23H20ClN5O4/c1-13-21-20(14(2)29(27-21)16-10-8-15(24)9-11-16)22(31)28(26-13)12-19(30)25-18-7-5-4-6-17(18)23(32)33-3/h4-11H,12H2,1-3H3,(H,25,30)

InChI Key

OHBIOXQKHZDOQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-4.09

Polar Surface Area

84.968

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G740-0088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Targeted Diversity Library (40567 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G740-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G740-0088?
Check Price and Availability of G740-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G740-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G740-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G740-0088
  • 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 G740-0088 available by request