C878-1786 Screening compound: 4-methyl-1-{4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}piperidine

C878-1786 Screening compound: 4-methyl-1-{4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}piperidine
C878-1786 Screening compound: 4-methyl-1-{4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1786
4-methyl-1-{4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)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

C878-1786

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(c1ccc(Cn2c(SCc3ccc(C)cc3)nc3c2cncc3)cc1)=O

InChI

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

InChI Key

TUTKDDBAINVNOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803019

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

5.230

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-4.77

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

C878-1786 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C878-1786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1786?
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What is the minimum amount of C878-1786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1786
  • 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 C878-1786 available by request