G111-0181 Screening compound: N-benzyl-3,6-bis(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

G111-0181 Screening compound: N-benzyl-3,6-bis(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
G111-0181 Screening compound: N-benzyl-3,6-bis(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G111-0181
N-benzyl-3,6-bis(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

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

G111-0181

Molecular Formula

C28H24N4O (C28 H24 N4 O)

Compound Name

N-benzyl-3,6-bis(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-benzyl-36-bis(4-methylphenyl)-2H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(cc1)ccc1-c1c2c(C(NCc3ccccc3)=O)cc(-c3ccc(C)cc3)nc2n[nH]1

InChI

InChI=1S/C28H24N4O/c1-18-8-12-21(13-9-18)24-16-23(28(33)29-17-20-6-4-3-5-7-20)25-26(31-32-27(25)30-24)22-14-10-19(2)11-15-22/h3-16H,17H2,1-2H3,(H,29,33)(H,30,31,32)

InChI Key

KNEDDYIQJBSXJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.885

Distribution Coefficient, logD

6.884

Water Solubility, LogSw

-5.91

Polar Surface Area

57.297

Acid Dissociation Constant (pKa)

5.14

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

G111-0181 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G111-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G111-0181?
Check Price and Availability of G111-0181, 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 G111-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G111-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G111-0181
  • 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 G111-0181 available by request