C999-0447 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide

C999-0447 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide
C999-0447 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0447
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(4-ethoxyphenyl)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

C999-0447

Molecular Formula

C26H36N4O2 (C26 H36 N4 O2)

Compound Name

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

IUPAC name

3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide

SMILES

CCOc1ccc(CCNC(CCc2c(C)nc3n(C(C)(C)C)nc(C)c3c2C)=O)cc1

InChI

InChI=1S/C26H36N4O2/c1-8-32-21-11-9-20(10-12-21)15-16-27-23(31)14-13-22-17(2)24-19(4)29-30(26(5,6)7)25(24)28-18(22)3/h9-12H,8,13-16H2,1-7H3,(H,27,31)

InChI Key

QDQVBOMUMMOYRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-4.25

Polar Surface Area

56.343

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C999-0447 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C999-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0447?
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What is the minimum amount of C999-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0447
  • 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 C999-0447 available by request