C878-0097 Screening compound: 1-{4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}pyrrolidine

C878-0097 Screening compound: 1-{4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}pyrrolidine
C878-0097 Screening compound: 1-{4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0097
1-{4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}pyrrolidine

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

C878-0097

Molecular Formula

C26H26N4OS (C26 H26 N4 OS)

Compound Name

1-{4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}pyrrolidine

IUPAC name

1-{4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}pyrrolidine

SMILES

Cc1ccc(Cn2c(SCc(cc3)ccc3C(N3CCCC3)=O)nc3c2cncc3)cc1

InChI

InChI=1S/C26H26N4OS/c1-19-4-6-20(7-5-19)17-30-24-16-27-13-12-23(24)28-26(30)32-18-21-8-10-22(11-9-21)25(31)29-14-2-3-15-29/h4-13,16H,2-3,14-15,17-18H2,1H3

InChI Key

JYIQDTJFWGZQDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.10

Polar Surface Area

37.010

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C878-0097 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 C878-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0097?
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What is the minimum amount of C878-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0097
  • 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 C878-0097 available by request