C561-2186 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

C561-2186 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
C561-2186 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2186
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(2,3,4-trimethoxyphenyl)ethyl]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

C561-2186

Molecular Formula

C27H38N4O4 (C27 H38 N4 O4)

Compound Name

3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

IUPAC name

3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}-N-[2-(234-trimethoxyphenyl)ethyl]propanamide

SMILES

CC(C)(C)n1nc(C)c2c(C)c(CCC(NCCc(ccc(OC)c3OC)c3OC)=O)c(C)nc12

InChI

InChI=1S/C27H38N4O4/c1-16-20(17(2)29-26-23(16)18(3)30-31(26)27(4,5)6)11-13-22(32)28-15-14-19-10-12-21(33-7)25(35-9)24(19)34-8/h10,12H,11,13-15H2,1-9H3,(H,28,32)

InChI Key

JBGUGWBNPUHJHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-4.04

Polar Surface Area

72.284

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

C561-2186 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 C561-2186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2186?
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What is the minimum amount of C561-2186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2186
  • 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 C561-2186 available by request