C797-0561 Screening compound: N-[(4-methoxyphenyl)methyl]-4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-0561 Screening compound: N-[(4-methoxyphenyl)methyl]-4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-0561 Screening compound: N-[(4-methoxyphenyl)methyl]-4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0561
N-[(4-methoxyphenyl)methyl]-4-[({3-[(3-methylphenyl)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

C797-0561

Molecular Formula

C30H28N4O2S (C30 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Cn2c(SCc(cc3)ccc3C(NCc(cc3)ccc3OC)=O)nc3c2cncc3)c1

InChI

InChI=1S/C30H28N4O2S/c1-21-4-3-5-24(16-21)19-34-28-18-31-15-14-27(28)33-30(34)37-20-23-6-10-25(11-7-23)29(35)32-17-22-8-12-26(36-2)13-9-22/h3-16,18H,17,19-20H2,1-2H3,(H,32,35)

InChI Key

ZQUXGLODAYHCRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

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

5.690

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.15

Polar Surface Area

51.952

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C797-0561 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0561?
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What is the minimum amount of C797-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0561
  • 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 C797-0561 available by request