C878-0121 Screening compound: N-(butan-2-yl)-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C878-0121 Screening compound: N-(butan-2-yl)-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C878-0121 Screening compound: N-(butan-2-yl)-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0121
N-(butan-2-yl)-4-[({3-[(4-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

C878-0121

Molecular Formula

C26H28N4OS (C26 H28 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c1ccc(CSc2nc(ccnc3)c3n2Cc2ccc(C)cc2)cc1)=O

InChI

InChI=1S/C26H28N4OS/c1-4-19(3)28-25(31)22-11-9-21(10-12-22)17-32-26-29-23-13-14-27-15-24(23)30(26)16-20-7-5-18(2)6-8-20/h5-15,19H,4,16-17H2,1-3H3,(H,28,31)/t19-/m0/s1

InChI Key

HAYWCZLIFVYZET-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14802799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.20

Polar Surface Area

44.122

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C878-0121 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C878-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0121?
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What is the minimum amount of C878-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0121
  • 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 C878-0121 available by request