C878-0413 Screening compound: N-(2-methoxyethyl)-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C878-0413 Screening compound: N-(2-methoxyethyl)-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C878-0413 Screening compound: N-(2-methoxyethyl)-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0413
N-(2-methoxyethyl)-4-[({3-[(4-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

C878-0413

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2OC)cc1)=O

InChI

InChI=1S/C25H26N4O3S/c1-31-14-13-27-24(30)20-7-3-19(4-8-20)17-33-25-28-22-11-12-26-15-23(22)29(25)16-18-5-9-21(32-2)10-6-18/h3-12,15H,13-14,16-17H2,1-2H3,(H,27,30)

InChI Key

ZCVGDZRKTYWMRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.55

Polar Surface Area

60.408

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C878-0413 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 C878-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0413?
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What is the minimum amount of C878-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0413
  • 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 C878-0413 available by request