8010-0031 Screening compound: N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

8010-0031 Screening compound: N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
8010-0031 Screening compound: N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0031
N-(2-fluorophenyl)-2-[(4-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

8010-0031

Molecular Formula

C11H11FN4OS (C11 H11 FN4 OS)

Compound Name

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

IUPAC name

N-(2-fluorophenyl)-2-[(4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cn1c(SCC(Nc(cccc2)c2F)=O)nnc1

InChI

InChI=1S/C11H11FN4OS/c1-16-7-13-15-11(16)18-6-10(17)14-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,14,17)

InChI Key

MYZFWUIDLAUZPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.976

Distribution Coefficient, logD

0.976

Water Solubility, LogSw

-2.24

Polar Surface Area

48.184

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8010-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8010-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0031?
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What is the minimum amount of 8010-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0031
  • 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 8010-0031 available by request