C878-1774 Screening compound: 4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]benzamide

C878-1774 Screening compound: 4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]benzamide
C878-1774 Screening compound: 4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1774
4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]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

C878-1774

Molecular Formula

C28H26N4OS2 (C28 H26 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2C(NCCc2cccs2)=O)cc1

InChI

InChI=1S/C28H26N4OS2/c1-20-4-6-22(7-5-20)19-35-28-31-25-13-14-29-17-26(25)32(28)18-21-8-10-23(11-9-21)27(33)30-15-12-24-3-2-16-34-24/h2-11,13-14,16-17H,12,15,18-19H2,1H3,(H,30,33)

InChI Key

CFLIRICJKQXIOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.01

Polar Surface Area

45.268

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C878-1774 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C878-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1774?
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What is the minimum amount of C878-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1774
  • 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 C878-1774 available by request