C878-0008 Screening compound: 4-methyl-1-{4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

C878-0008 Screening compound: 4-methyl-1-{4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine
C878-0008 Screening compound: 4-methyl-1-{4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0008
4-methyl-1-{4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

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

C878-0008

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

4-methyl-1-{4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

IUPAC name

4-methyl-1-{4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}piperidine

SMILES

CC(CC1)CCN1C(c1ccc(CSc2nc(ccnc3)c3n2Cc2cc(C)ccc2)cc1)=O

InChI

InChI=1S/C28H30N4OS/c1-20-11-14-31(15-12-20)27(33)24-8-6-22(7-9-24)19-34-28-30-25-10-13-29-17-26(25)32(28)18-23-5-3-4-21(2)16-23/h3-10,13,16-17,20H,11-12,14-15,18-19H2,1-2H3

InChI Key

BGVMQTIIVZSBEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.13

Polar Surface Area

36.644

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C878-0008 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C878-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0008?
Check Price and Availability of C878-0008, 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 C878-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0008
  • 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 C878-0008 available by request