J011-0303 Screening compound: 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

J011-0303 Screening compound: 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide
J011-0303 Screening compound: 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-{3-methyl-[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 J011-0303
2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-{3-methyl-[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

J011-0303

Molecular Formula

C21H20BrN5O2S (C21 H20 BrN5 O2 S)

Compound Name

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

IUPAC name

2-(2-bromo-46-dimethylphenoxy)-N-[(4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]acetamide

SMILES

Cc1nnc2sc(-c3ccc(CNC(COc(c(C)cc(C)c4)c4Br)=O)cc3)nn12

InChI

InChI=1S/C21H20BrN5O2S/c1-12-8-13(2)19(17(22)9-12)29-11-18(28)23-10-15-4-6-16(7-5-15)20-26-27-14(3)24-25-21(27)30-20/h4-9H,10-11H2,1-3H3,(H,23,28)

InChI Key

KZQBIKHSBACGNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27216641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.39

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

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-3.96

Polar Surface Area

66.643

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J011-0303 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J011-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0303?
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What is the minimum amount of J011-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0303
  • 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 J011-0303 available by request