C987-0146 Screening compound: methyl 4-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate

C987-0146 Screening compound: methyl 4-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate
C987-0146 Screening compound: methyl 4-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C987-0146
methyl 4-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-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

C987-0146

Molecular Formula

C27H28N4O3 (C27 H28 N4 O3)

Compound Name

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

IUPAC name

methyl 4-{3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamido}benzoate

SMILES

Cc(c1c(C)c(CCC(Nc(cc2)ccc2C(OC)=O)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C27H28N4O3/c1-16-6-12-22(13-7-16)31-26-25(19(4)30-31)17(2)23(18(3)28-26)14-15-24(32)29-21-10-8-20(9-11-21)27(33)34-5/h6-13H,14-15H2,1-5H3,(H,29,32)

InChI Key

SUXOMJQVZPVVDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

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

5.048

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.92

Polar Surface Area

68.263

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C987-0146 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Purinergic Library (3321 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
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C987-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0146?
Check Price and Availability of C987-0146, 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 C987-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0146
  • 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 C987-0146 available by request