8012-0205 Screening compound: 2,4-diazido-6-phenylmethanesulfinylbenzonitrile

8012-0205 Screening compound: 2,4-diazido-6-phenylmethanesulfinylbenzonitrile
8012-0205 Screening compound: 2,4-diazido-6-phenylmethanesulfinylbenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0205
2,4-diazido-6-phenylmethanesulfinylbenzonitrile

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

8012-0205

Molecular Formula

C14H9N7OS (C14 H9 N7 OS)

Compound Name

2,4-diazido-6-phenylmethanesulfinylbenzonitrile

IUPAC name

24-diazido-6-phenylmethanesulfinylbenzonitrile

SMILES

[N-]=[N+]=Nc(cc1N=[N+]=[N-])cc(S(Cc2ccccc2)=O)c1C#N

InChI

InChI=1S/C14H11N7OS/c15-8-12-13(19-21-17)6-11(18-20-16)7-14(12)23(22)9-10-4-2-1-3-5-10/h1-7H,9,23H2

InChI Key

BWPBLZIKCAPFRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.74

Polar Surface Area

114.117

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8012-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0205?
Check Price and Availability of 8012-0205, 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 8012-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0205
  • 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 8012-0205 available by request