G813-0002 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]ethan-1-one

G813-0002 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]ethan-1-one
G813-0002 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0002
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]ethan-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

G813-0002

Molecular Formula

C25H30ClN5OS (C25 H30 ClN5 OS)

Compound Name

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]ethan-1-one

IUPAC name

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[({3-cyclohexyl-3H-imidazo[45-b]pyridin-2-yl}methyl)sulfanyl]ethan-1-one

SMILES

O=C(CSCc(n1C2CCCCC2)nc2c1nccc2)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C25H30ClN5OS/c26-19-8-10-20(11-9-19)29-13-15-30(16-14-29)24(32)18-33-17-23-28-22-7-4-12-27-25(22)31(23)21-5-2-1-3-6-21/h4,7-12,21H,1-3,5-6,13-18H2

InChI Key

BBBTUOUXYMZRCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.928

Water Solubility, LogSw

-5.06

Polar Surface Area

41.008

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

G813-0002 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G813-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0002?
Check Price and Availability of G813-0002, 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 G813-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0002
  • 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 G813-0002 available by request