C677-0024 Screening compound: N-(3-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C677-0024 Screening compound: N-(3-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C677-0024 Screening compound: N-(3-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0024
N-(3-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-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

C677-0024

Molecular Formula

C24H24FN5OS (C24 H24 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(Cc(n2CCc3ccccc3)nnc2SCC(Nc2cc(F)ccc2)=O)ccc1

InChI

InChI=1S/C24H24FN5OS/c1-29-13-6-11-21(29)16-22-27-28-24(30(22)14-12-18-7-3-2-4-8-18)32-17-23(31)26-20-10-5-9-19(25)15-20/h2-11,13,15H,12,14,16-17H2,1H3,(H,26,31)

InChI Key

YSJKCYIGWLIDOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.32

Polar Surface Area

50.971

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C677-0024 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C677-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0024?
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What is the minimum amount of C677-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0024
  • 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 C677-0024 available by request