G598-0333 Screening compound: N-(2,5-difluorophenyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide

G598-0333 Screening compound: N-(2,5-difluorophenyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide
G598-0333 Screening compound: N-(2,5-difluorophenyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0333
N-(2,5-difluorophenyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide

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

G598-0333

Molecular Formula

C25H20F2N6O2 (C25 H20 F2 N6 O2)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]propanamide

SMILES

CC(C(Nc(cc(cc1)F)c1F)=O)N(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c1ccccc1

InChI

InChI=1S/C25H20F2N6O2/c1-15-22-21(24(31-12-6-7-13-31)33(30-22)18-8-4-3-5-9-18)25(35)32(29-15)16(2)23(34)28-20-14-17(26)10-11-19(20)27/h3-14,16H,1-2H3,(H,28,34)/t16-/m0/s1

InChI Key

RZJKBEXMPLPHIF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15022072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.41

Polar Surface Area

65.332

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

G598-0333 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G598-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0333?
Check Price and Availability of G598-0333, 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 G598-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0333
  • 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 G598-0333 available by request