0089-0080 Screening compound: 1-{4-[4-(1H-triazirin-1-yl)benzenesulfonyl]phenyl}-1H-triazirine

0089-0080 Screening compound: 1-{4-[4-(1H-triazirin-1-yl)benzenesulfonyl]phenyl}-1H-triazirine
0089-0080 Screening compound: 1-{4-[4-(1H-triazirin-1-yl)benzenesulfonyl]phenyl}-1H-triazirine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0089-0080
1-{4-[4-(1H-triazirin-1-yl)benzenesulfonyl]phenyl}-1H-triazirine

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

0089-0080

Molecular Formula

C12H8N6O2S (C12 H8 N6 O2 S)

Compound Name

1-{4-[4-(1H-triazirin-1-yl)benzenesulfonyl]phenyl}-1H-triazirine

IUPAC name

1-{4-[4-(1H-triazirin-1-yl)benzenesulfonyl]phenyl}-1H-triazirine

SMILES

O=S(c(cc1)ccc1N1N=N1)(c(cc1)ccc1N1N=N1)=O

InChI

InChI=1S/C12H8N6O2S/c19-21(20,11-5-1-9(2-6-11)17-13-14-17)12-7-3-10(4-8-12)18-15-16-18/h1-8H

InChI Key

KAYYTJLBPMVIOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.44

Polar Surface Area

80.268

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0089-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0089-0080?
Check Price and Availability of 0089-0080, 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 0089-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0089-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0089-0080
  • 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 0089-0080 available by request