C999-0184 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide

C999-0184 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
C999-0184 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0184
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]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

C999-0184

Molecular Formula

C28H32N4O2 (C28 H32 N4 O2)

Compound Name

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide

IUPAC name

3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide

SMILES

Cc(c1c(C)c(CCC(NCc2cc(OC)ccc2)=O)c(C)nc11)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C28H32N4O2/c1-17-10-11-23(14-18(17)2)32-28-27(21(5)31-32)19(3)25(20(4)30-28)12-13-26(33)29-16-22-8-7-9-24(15-22)34-6/h7-11,14-15H,12-13,16H2,1-6H3,(H,29,33)

InChI Key

MDNKPZFCQTZTBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

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

5.459

Distribution Coefficient, logD

5.447

Water Solubility, LogSw

-5.62

Polar Surface Area

55.955

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C999-0184 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C999-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0184?
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What is the minimum amount of C999-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0184
  • 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 C999-0184 available by request