J011-0368 Screening compound: N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]butanamide

J011-0368 Screening compound: N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]butanamide
J011-0368 Screening compound: N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0368
N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]butanamide

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

J011-0368

Molecular Formula

C16H19N5OS (C16 H19 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCC(NCc(cc1)ccc1-c(s1)nn2c1nnc2CC)=O

InChI

InChI=1S/C16H19N5OS/c1-3-5-14(22)17-10-11-6-8-12(9-7-11)15-20-21-13(4-2)18-19-16(21)23-15/h6-9H,3-5,10H2,1-2H3,(H,17,22)

InChI Key

WSCRATKLGLWQCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09965070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.56

Polar Surface Area

59.441

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

J011-0368 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J011-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0368?
Check Price and Availability of J011-0368, 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 J011-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0368
  • 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 J011-0368 available by request