G812-0017 Screening compound: 4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-one

G812-0017 Screening compound: 4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-one
G812-0017 Screening compound: 4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G812-0017
4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-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

G812-0017

Molecular Formula

C24H30N4O (C24 H30 N4 O)

Compound Name

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

IUPAC name

4-[3-(3-methylbutyl)-3H-imidazo[45-b]pyridin-2-yl]-1-(1234-tetrahydroisoquinolin-2-yl)butan-1-one

SMILES

CC(C)CCn1c(nccc2)c2nc1CCCC(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C24H30N4O/c1-18(2)12-16-28-22(26-21-9-6-14-25-24(21)28)10-5-11-23(29)27-15-13-19-7-3-4-8-20(19)17-27/h3-4,6-9,14,18H,5,10-13,15-17H2,1-2H3

InChI Key

OUDZLTCFDHVDSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.09

Polar Surface Area

37.083

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G812-0017 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G812-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G812-0017?
Check Price and Availability of G812-0017, 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 G812-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G812-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G812-0017
  • 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 G812-0017 available by request