J011-0218 Screening compound: N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]hexanamide

J011-0218 Screening compound: N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]hexanamide
J011-0218 Screening compound: N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0218
N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]hexanamide

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

J011-0218

Molecular Formula

C17H21N5OS (C17 H21 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCCC(NCc(cc1)ccc1-c(s1)nn2c1nnc2C)=O

InChI

InChI=1S/C17H21N5OS/c1-3-4-5-6-15(23)18-11-13-7-9-14(10-8-13)16-21-22-12(2)19-20-17(22)24-16/h7-10H,3-6,11H2,1-2H3,(H,18,23)

InChI Key

RJJRHJIIFULISW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.71

Polar Surface Area

59.242

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

J011-0218 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 J011-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0218?
Check Price and Availability of J011-0218, 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 J011-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0218
  • 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 J011-0218 available by request