C878-1706 Screening compound: 4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide

C878-1706 Screening compound: 4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
C878-1706 Screening compound: 4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1706
4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide

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

C878-1706

Molecular Formula

C28H25N5OS (C28 H25 N5 OS)

Compound Name

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

IUPAC name

4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]-N-[(pyridin-3-yl)methyl]benzamide

SMILES

Cc1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2C(NCc2cnccc2)=O)cc1

InChI

InChI=1S/C28H25N5OS/c1-20-4-6-22(7-5-20)19-35-28-32-25-12-14-30-17-26(25)33(28)18-21-8-10-24(11-9-21)27(34)31-16-23-3-2-13-29-15-23/h2-15,17H,16,18-19H2,1H3,(H,31,34)

InChI Key

NOENURDGNLACHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-3.93

Polar Surface Area

53.926

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C878-1706 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C878-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1706?
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What is the minimum amount of C878-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1706
  • 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 C878-1706 available by request