C677-0246 Screening compound: N-(3-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C677-0246 Screening compound: N-(3-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C677-0246 Screening compound: N-(3-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0246
N-(3-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

C677-0246

Molecular Formula

C22H19F2N5OS (C22 H19 F2 N5 OS)

Compound Name

N-(3-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-fluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cn1c(Cc(n2-c(cc3)ccc3F)nnc2SCC(Nc2cc(F)ccc2)=O)ccc1

InChI

InChI=1S/C22H19F2N5OS/c1-28-11-3-6-19(28)13-20-26-27-22(29(20)18-9-7-15(23)8-10-18)31-14-21(30)25-17-5-2-4-16(24)12-17/h2-12H,13-14H2,1H3,(H,25,30)

InChI Key

ZDGWSYWAFUDOPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.11

Polar Surface Area

51.736

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C677-0246 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Receptors Annotated Library (5376 compounds)

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C677-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0246?
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What is the minimum amount of C677-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0246
  • 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 C677-0246 available by request