G209-0104 Screening compound: methyl 2-({4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperazine-1-carbonyl}amino)propanoate

G209-0104 Screening compound: methyl 2-({4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperazine-1-carbonyl}amino)propanoate
G209-0104 Screening compound: methyl 2-({4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperazine-1-carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G209-0104
methyl 2-({4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperazine-1-carbonyl}amino)propanoate

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

G209-0104

Molecular Formula

C22H26ClN7O3 (C22 H26 ClN7 O3)

Compound Name

methyl 2-({4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperazine-1-carbonyl}amino)propanoate

IUPAC name

methyl 2-({4-[2-(4-chlorophenyl)-34-dimethyl-2H-pyrazolo[34-d]pyridazin-7-yl]piperazine-1-carbonyl}amino)propanoate

SMILES

CC(C(OC)=O)NC(N(CC1)CCN1c1nnc(C)c2c(C)n(-c(cc3)ccc3Cl)nc12)=O

InChI

InChI=1S/C22H26ClN7O3/c1-13-18-15(3)30(17-7-5-16(23)6-8-17)27-19(18)20(26-25-13)28-9-11-29(12-10-28)22(32)24-14(2)21(31)33-4/h5-8,14H,9-12H2,1-4H3,(H,24,32)/t14-/m0/s1

InChI Key

ZEXDSAGZNZVKRR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14986305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.51

Polar Surface Area

87.478

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

G209-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G209-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G209-0104?
Check Price and Availability of G209-0104, 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 G209-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G209-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G209-0104
  • 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 G209-0104 available by request