8544-0674 Screening compound: 5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

8544-0674 Screening compound: 5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
8544-0674 Screening compound: 5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8544-0674
5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

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

8544-0674

Molecular Formula

C24H19N5O2S (C24 H19 N5 O2 S)

Compound Name

5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-methyl-N-[2-(methylsulfanyl)phenyl]-1-(3-phenyl-21-benzoxazol-5-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc(cccc2)c2SC)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C24H19N5O2S/c1-15-22(24(30)25-20-10-6-7-11-21(20)32-2)26-28-29(15)17-12-13-19-18(14-17)23(31-27-19)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,25,30)

InChI Key

NYRTXEMTBBOGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09760426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.65

Polar Surface Area

70.958

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8544-0674 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8544-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8544-0674?
Check Price and Availability of 8544-0674, 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 8544-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8544-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8544-0674
  • 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 8544-0674 available by request