C677-0009 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

C677-0009 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
C677-0009 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0009
1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

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

C677-0009

Molecular Formula

C26H27N5OS (C26 H27 N5 OS)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-124-triazol-3-yl}sulfanyl)ethan-1-one

SMILES

Cn1c(Cc(n2CCc3ccccc3)nnc2SCC(N(CC2)c3c2cccc3)=O)ccc1

InChI

InChI=1S/C26H27N5OS/c1-29-15-7-11-22(29)18-24-27-28-26(31(24)16-13-20-8-3-2-4-9-20)33-19-25(32)30-17-14-21-10-5-6-12-23(21)30/h2-12,15H,13-14,16-19H2,1H3

InChI Key

BVPUMLYZFXJADI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.29

Polar Surface Area

43.245

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C677-0009 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C677-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0009?
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What is the minimum amount of C677-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0009
  • 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 C677-0009 available by request