C919-0061 Screening compound: methyl 2-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate

C919-0061 Screening compound: methyl 2-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate
C919-0061 Screening compound: methyl 2-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C919-0061
methyl 2-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)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

C919-0061

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

methyl 2-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate

IUPAC name

methyl 2-(3-{346-trimethyl-1-phenyl-1H-pyrazolo[34-b]pyridin-5-yl}propanamido)benzoate

SMILES

Cc(c1c(C)c(CCC(Nc(cccc2)c2C(OC)=O)=O)c(C)nc11)nn1-c1ccccc1

InChI

InChI=1S/C26H26N4O3/c1-16-20(14-15-23(31)28-22-13-9-8-12-21(22)26(32)33-4)17(2)27-25-24(16)18(3)29-30(25)19-10-6-5-7-11-19/h5-13H,14-15H2,1-4H3,(H,28,31)

InChI Key

PIKUVIFOVZBIHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.137

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.61

Polar Surface Area

67.565

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C919-0061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 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:
  • Nervous system

References: we are preparing a list of scientific research reports with C919-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C919-0061?
Check Price and Availability of C919-0061, 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 C919-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C919-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C919-0061
  • 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 C919-0061 available by request