J011-0285 Screening compound: 2-(4-bromophenoxy)-2-methyl-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]propanamide

J011-0285 Screening compound: 2-(4-bromophenoxy)-2-methyl-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]propanamide
J011-0285 Screening compound: 2-(4-bromophenoxy)-2-methyl-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0285
2-(4-bromophenoxy)-2-methyl-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]propanamide

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

J011-0285

Molecular Formula

C21H20BrN5O2S (C21 H20 BrN5 O2 S)

Compound Name

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

IUPAC name

2-(4-bromophenoxy)-2-methyl-N-[(4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]propanamide

SMILES

CC(C)(C(NCc(cc1)ccc1-c(s1)nn2c1nnc2C)=O)Oc(cc1)ccc1Br

InChI

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

InChI Key

CYOTYGXAOKBFNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130028

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

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-3.99

Polar Surface Area

65.403

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J011-0285 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J011-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0285?
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What is the minimum amount of J011-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0285
  • 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 J011-0285 available by request