C677-0251 Screening compound: N-(2,4-difluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C677-0251 Screening compound: N-(2,4-difluorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C677-0251 Screening compound: N-(2,4-difluorophenyl)-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 C677-0251
N-(2,4-difluorophenyl)-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

C677-0251

Molecular Formula

C22H18F3N5OS (C22 H18 F3 N5 OS)

Compound Name

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

IUPAC name

N-(24-difluorophenyl)-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(Nc(ccc(F)c2)c2F)=O)ccc1

InChI

InChI=1S/C22H18F3N5OS/c1-29-10-2-3-17(29)12-20-27-28-22(30(20)16-7-4-14(23)5-8-16)32-13-21(31)26-19-9-6-15(24)11-18(19)25/h2-11H,12-13H2,1H3,(H,26,31)

InChI Key

OWGSOIJDCRBUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.48

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

3.780

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.89

Polar Surface Area

51.038

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C677-0251 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C677-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0251?
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What is the minimum amount of C677-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0251
  • 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 C677-0251 available by request