G598-0597 Screening compound: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-propylacetamide

G598-0597 Screening compound: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-propylacetamide
G598-0597 Screening compound: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0597
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-propylacetamide

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

G598-0597

Molecular Formula

C21H21ClN6O2 (C21 H21 ClN6 O2)

Compound Name

2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-propylacetamide

IUPAC name

2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]-N-propylacetamide

SMILES

CCCNC(CN(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H21ClN6O2/c1-3-10-23-17(29)13-27-21(30)18-19(14(2)24-27)25-28(16-8-6-15(22)7-9-16)20(18)26-11-4-5-12-26/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,29)

InChI Key

PCXOHJFVQSYVDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.88

Polar Surface Area

68.718

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G598-0597 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G598-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0597?
Check Price and Availability of G598-0597, 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 G598-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0597
  • 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 G598-0597 available by request