J011-0147 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

J011-0147 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide
J011-0147 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-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 J011-0147
2-[5-methyl-2-(propan-2-yl)phenoxy]-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

J011-0147

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

IUPAC name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[(4-{[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(NCc(cc1)ccc1-c(s1)nn2c1nnc2)=O

InChI

InChI=1S/C22H23N5O2S/c1-14(2)18-9-4-15(3)10-19(18)29-12-20(28)23-11-16-5-7-17(8-6-16)21-26-27-13-24-25-22(27)30-21/h4-10,13-14H,11-12H2,1-3H3,(H,23,28)

InChI Key

ILYFRHVIXISSAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27216627

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

3.789

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.94

Polar Surface Area

66.430

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J011-0147 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 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 J011-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0147?
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What is the minimum amount of J011-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0147
  • 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 J011-0147 available by request