C878-0351 Screening compound: N-benzyl-4-[({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C878-0351 Screening compound: N-benzyl-4-[({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C878-0351 Screening compound: N-benzyl-4-[({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0351
N-benzyl-4-[({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)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

C878-0351

Molecular Formula

C29H26N4O2S (C29 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(Cn2c(SCc(cc3)ccc3C(NCc3ccccc3)=O)nc3c2cncc3)c1

InChI

InChI=1S/C29H26N4O2S/c1-35-25-9-5-8-23(16-25)19-33-27-18-30-15-14-26(27)32-29(33)36-20-22-10-12-24(13-11-22)28(34)31-17-21-6-3-2-4-7-21/h2-16,18H,17,19-20H2,1H3,(H,31,34)

InChI Key

VEKSSDRPKJMTGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.113

Water Solubility, LogSw

-4.82

Polar Surface Area

51.952

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C878-0351 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C878-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0351?
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What is the minimum amount of C878-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0351
  • 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 C878-0351 available by request