G812-0025 Screening compound: 1-(4-benzylpiperazin-1-yl)-4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butan-1-one

G812-0025 Screening compound: 1-(4-benzylpiperazin-1-yl)-4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butan-1-one
G812-0025 Screening compound: 1-(4-benzylpiperazin-1-yl)-4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G812-0025
1-(4-benzylpiperazin-1-yl)-4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butan-1-one

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

G812-0025

Molecular Formula

C26H35N5O (C26 H35 N5 O)

Compound Name

1-(4-benzylpiperazin-1-yl)-4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-4-[3-(3-methylbutyl)-3H-imidazo[45-b]pyridin-2-yl]butan-1-one

SMILES

CC(C)CCn1c(nccc2)c2nc1CCCC(N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C26H35N5O/c1-21(2)13-15-31-24(28-23-10-7-14-27-26(23)31)11-6-12-25(32)30-18-16-29(17-19-30)20-22-8-4-3-5-9-22/h3-5,7-10,14,21H,6,11-13,15-20H2,1-2H3

InChI Key

OWQOERYAKKPPEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-3.73

Polar Surface Area

40.961

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G812-0025 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G812-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G812-0025?
Check Price and Availability of G812-0025, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G812-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G812-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G812-0025
  • 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 G812-0025 available by request