7445-0113 Screening compound: 2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide

7445-0113 Screening compound: 2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide
7445-0113 Screening compound: 2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7445-0113
2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)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

7445-0113

Molecular Formula

C19H19FN4O2S (C19 H19 FN4 O2 S)

Compound Name

2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide

IUPAC name

2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(2-fluoro-5-methylphenyl)acetamide

SMILES

CCn1c(SCC(Nc(cc(C)cc2)c2F)=O)nnc1-c(cccc1)c1O

InChI

InChI=1S/C19H19FN4O2S/c1-3-24-18(13-6-4-5-7-16(13)25)22-23-19(24)27-11-17(26)21-15-10-12(2)8-9-14(15)20/h4-10,25H,3,11H2,1-2H3,(H,21,26)

InChI Key

NXYSOBCJGAEYMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.118

Water Solubility, LogSw

-3.79

Polar Surface Area

62.965

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7445-0113 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 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 7445-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7445-0113?
Check Price and Availability of 7445-0113, 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 7445-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7445-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7445-0113
  • 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 7445-0113 available by request