J011-0148 Screening compound: 2-(2-chloro-4,6-dimethylphenoxy)-N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

J011-0148 Screening compound: 2-(2-chloro-4,6-dimethylphenoxy)-N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide
J011-0148 Screening compound: 2-(2-chloro-4,6-dimethylphenoxy)-N-[(4-{[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 J011-0148
2-(2-chloro-4,6-dimethylphenoxy)-N-[(4-{[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

J011-0148

Molecular Formula

C20H18ClN5O2S (C20 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

2-(2-chloro-46-dimethylphenoxy)-N-[(4-{[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]acetamide

SMILES

Cc(cc1C)cc(Cl)c1OCC(NCc(cc1)ccc1-c(s1)nn2c1nnc2)=O

InChI

InChI=1S/C20H18ClN5O2S/c1-12-7-13(2)18(16(21)8-12)28-10-17(27)22-9-14-3-5-15(6-4-14)19-25-26-11-23-24-20(26)29-19/h3-8,11H,9-10H2,1-2H3,(H,22,27)

InChI Key

YVNNUUVUIWPLFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09961512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.98

Polar Surface Area

66.517

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with J011-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0148?
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What is the minimum amount of J011-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0148
  • 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 J011-0148 available by request