C999-0879 Screening compound: N-(2-methoxyethyl)-3-{1,3,4,6-tetramethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide

C999-0879 Screening compound: N-(2-methoxyethyl)-3-{1,3,4,6-tetramethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide
C999-0879 Screening compound: N-(2-methoxyethyl)-3-{1,3,4,6-tetramethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0879
N-(2-methoxyethyl)-3-{1,3,4,6-tetramethyl-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

C999-0879

Molecular Formula

C16H24N4O2 (C16 H24 N4 O2)

Compound Name

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

IUPAC name

N-(2-methoxyethyl)-3-{1346-tetramethyl-1H-pyrazolo[34-b]pyridin-5-yl}propanamide

SMILES

Cc1nn(C)c2nc(C)c(CCC(NCCOC)=O)c(C)c12

InChI

InChI=1S/C16H24N4O2/c1-10-13(6-7-14(21)17-8-9-22-5)11(2)18-16-15(10)12(3)19-20(16)4/h6-9H2,1-5H3,(H,17,21)

InChI Key

ARHYHEQZJDDPAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09147430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.773

Distribution Coefficient, logD

0.767

Water Solubility, LogSw

-0.69

Polar Surface Area

57.288

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

C999-0879 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Purinergic Library (3321 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 C999-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0879?
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What is the minimum amount of C999-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0879
  • 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 C999-0879 available by request