0998-0032 Screening compound: 4-[(1E)-3-(4-bromophenyl)triaz-1-en-1-yl]benzene-1-sulfonic acid

0998-0032 Screening compound: 4-[(1E)-3-(4-bromophenyl)triaz-1-en-1-yl]benzene-1-sulfonic acid
0998-0032 Screening compound: 4-[(1E)-3-(4-bromophenyl)triaz-1-en-1-yl]benzene-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0998-0032
4-[(1E)-3-(4-bromophenyl)triaz-1-en-1-yl]benzene-1-sulfonic acid

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

0998-0032

Molecular Formula

C12H10BrN3O3S (C12 H10 BrN3 O3 S)

Compound Name

4-[(1E)-3-(4-bromophenyl)triaz-1-en-1-yl]benzene-1-sulfonic acid

IUPAC name

4-[(1E)-3-(4-bromophenyl)triaz-1-en-1-yl]benzene-1-sulfonic acid

SMILES

OS(c(cc1)ccc1/N=N/Nc(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C12H10BrN3O3S/c13-9-1-3-10(4-2-9)14-16-15-11-5-7-12(8-6-11)20(17,18)19/h1-8H,(H,14,15)(H,17,18,19)

InChI Key

GYCCKEFEAZDDOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.321

Distribution Coefficient, logD

-12.379

Water Solubility, LogSw

-2.28

Polar Surface Area

76.141

Acid Dissociation Constant (pKa)

-2.97

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0998-0032 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0998-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0998-0032?
Check Price and Availability of 0998-0032, 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 0998-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0998-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0998-0032
  • 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 0998-0032 available by request