J011-0440 Screening compound: 2-(2,4-dimethylphenoxy)-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

J011-0440 Screening compound: 2-(2,4-dimethylphenoxy)-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide
J011-0440 Screening compound: 2-(2,4-dimethylphenoxy)-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0440
2-(2,4-dimethylphenoxy)-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]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

J011-0440

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

2-(2,4-dimethylphenoxy)-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

IUPAC name

2-(24-dimethylphenoxy)-N-[(4-{3-ethyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]acetamide

SMILES

CCc1nnc2sc(-c3ccc(CNC(COc4c(C)cc(C)cc4)=O)cc3)nn12

InChI

InChI=1S/C22H23N5O2S/c1-4-19-24-25-22-27(19)26-21(30-22)17-8-6-16(7-9-17)12-23-20(28)13-29-18-10-5-14(2)11-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,23,28)

InChI Key

APRASWHMBODOFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09960598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-3.93

Polar Surface Area

66.755

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J011-0440 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J011-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0440?
Check Price and Availability of J011-0440, 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 J011-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0440
  • 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 J011-0440 available by request