C677-0233 Screening compound: 2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

C677-0233 Screening compound: 2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
C677-0233 Screening compound: 2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0233
2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

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

C677-0233

Molecular Formula

C22H20FN5OS (C22 H20 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(Cc(n2-c(cc3)ccc3F)nnc2SCC(Nc2ccccc2)=O)ccc1

InChI

InChI=1S/C22H20FN5OS/c1-27-13-5-8-19(27)14-20-25-26-22(28(20)18-11-9-16(23)10-12-18)30-15-21(29)24-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,24,29)

InChI Key

CCOVNSLUPXCWOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

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

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.97

Polar Surface Area

51.736

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C677-0233 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Immunological Library (6760 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 C677-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0233?
Check Price and Availability of C677-0233, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C677-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0233
  • 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 C677-0233 available by request