J011-0102 Screening compound: N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzenesulfonamide

J011-0102 Screening compound: N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzenesulfonamide
J011-0102 Screening compound: N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0102
N-[(4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]benzenesulfonamide

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

J011-0102

Molecular Formula

C16H13N5O2S2 (C16 H13 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1ccccc1)(NCc(cc1)ccc1-c(s1)nn2c1nnc2)=O

InChI

InChI=1S/C16H13N5O2S2/c22-25(23,14-4-2-1-3-5-14)18-10-12-6-8-13(9-7-12)15-20-21-11-17-19-16(21)24-15/h1-9,11,18H,10H2

InChI Key

WMMFHAQTSQHGPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09965095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.138

Distribution Coefficient, logD

2.138

Water Solubility, LogSw

-2.77

Polar Surface Area

76.402

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

J011-0102 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J011-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0102?
Check Price and Availability of J011-0102, 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 J011-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0102
  • 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 J011-0102 available by request