C878-1889 Screening compound: 1-{4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}piperidine

C878-1889 Screening compound: 1-{4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}piperidine
C878-1889 Screening compound: 1-{4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1889
1-{4-[(2-{[(3-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

C878-1889

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2C(N2CCCCC2)=O)c1

InChI

InChI=1S/C27H28N4OS/c1-20-6-5-7-22(16-20)19-33-27-29-24-12-13-28-17-25(24)31(27)18-21-8-10-23(11-9-21)26(32)30-14-3-2-4-15-30/h5-13,16-17H,2-4,14-15,18-19H2,1H3

InChI Key

JSQITOIZIXSSHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

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

5.400

Distribution Coefficient, logD

5.397

Water Solubility, LogSw

-5.00

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

29.60

C878-1889 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C878-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1889?
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What is the minimum amount of C878-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1889
  • 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 C878-1889 available by request