C999-0126 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(pyridin-2-yl)methyl]propanamide

C999-0126 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(pyridin-2-yl)methyl]propanamide
C999-0126 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0126
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-[(pyridin-2-yl)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

C999-0126

Molecular Formula

C26H29N5O (C26 H29 N5 O)

Compound Name

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

IUPAC name

3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]-N-[(pyridin-2-yl)methyl]propanamide

SMILES

Cc(c1c(C)c(CCC(NCc2ncccc2)=O)c(C)nc11)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C26H29N5O/c1-16-9-10-22(14-17(16)2)31-26-25(20(5)30-31)18(3)23(19(4)29-26)11-12-24(32)28-15-21-8-6-7-13-27-21/h6-10,13-14H,11-12,15H2,1-5H3,(H,28,32)

InChI Key

HLDJOYKRXIDXQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

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

4.452

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.56

Polar Surface Area

57.954

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C999-0126 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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 C999-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0126?
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What is the minimum amount of C999-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0126
  • 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 C999-0126 available by request