C987-0099 Screening compound: N-(2-methoxyethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C987-0099 Screening compound: N-(2-methoxyethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C987-0099 Screening compound: N-(2-methoxyethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C987-0099
N-(2-methoxyethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-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

C987-0099

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

N-(2-methoxyethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-(2-methoxyethyl)-3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

Cc(c1c(C)c(CCC(NCCOC)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C22H28N4O2/c1-14-6-8-18(9-7-14)26-22-21(17(4)25-26)15(2)19(16(3)24-22)10-11-20(27)23-12-13-28-5/h6-9H,10-13H2,1-5H3,(H,23,27)

InChI Key

FFCAJDQNIVLIKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.51

Polar Surface Area

56.866

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C987-0099 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C987-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0099?
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What is the minimum amount of C987-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0099
  • 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 C987-0099 available by request