C878-1041 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

C878-1041 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
C878-1041 Screening compound: 4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1041
4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[2-(pyrrolidin-1-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

C878-1041

Molecular Formula

C27H29N5OS (C27 H29 N5 OS)

Compound Name

4-[({3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

IUPAC name

4-[({3-benzyl-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc2ccccc2)cc1)NCCN1CCCC1

InChI

InChI=1S/C27H29N5OS/c33-26(29-14-17-31-15-4-5-16-31)23-10-8-22(9-11-23)20-34-27-30-24-12-13-28-18-25(24)32(27)19-21-6-2-1-3-7-21/h1-3,6-13,18H,4-5,14-17,19-20H2,(H,29,33)

InChI Key

KYQGQFOZDFHXFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.63

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

3.876

Distribution Coefficient, logD

2.467

Water Solubility, LogSw

-3.84

Polar Surface Area

48.599

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C878-1041 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C878-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-1041?
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What is the minimum amount of C878-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1041
  • 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 C878-1041 available by request