J011-0064 Screening compound: N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]butanamide

J011-0064 Screening compound: N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]butanamide
J011-0064 Screening compound: N-[(4-{[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 J011-0064
N-[(4-{[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

J011-0064

Molecular Formula

C14H15N5OS (C14 H15 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCC(NCc(cc1)ccc1-c(s1)nn2c1nnc2)=O

InChI

InChI=1S/C14H15N5OS/c1-2-3-12(20)15-8-10-4-6-11(7-5-10)13-18-19-9-16-17-14(19)21-13/h4-7,9H,2-3,8H2,1H3,(H,15,20)

InChI Key

JPESLXMKTPKGNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09965081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-2.32

Polar Surface Area

59.116

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with J011-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0064?
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What is the minimum amount of J011-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0064
  • 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 J011-0064 available by request