8008-1013 Screening compound: 2-(8-nitro-4-oxo-4H-[1,3]dithiolo[4,5-c]chromen-2-yliden)malononitrile

8008-1013 Screening compound: 2-(8-nitro-4-oxo-4H-[1,3]dithiolo[4,5-c]chromen-2-yliden)malononitrile
8008-1013 Screening compound: 2-(8-nitro-4-oxo-4H-[1,3]dithiolo[4,5-c]chromen-2-yliden)malononitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1013
2-(8-nitro-4-oxo-4H-[1,3]dithiolo[4,5-c]chromen-2-yliden)malononitrile

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

8008-1013

Molecular Formula

C13H3N3O4S2 (C13 H3 N3 O4 S2)

Compound Name

2-(8-nitro-4-oxo-4H-[1,3]dithiolo[4,5-c]chromen-2-yliden)malononitrile

IUPAC name

2-{8-nitro-4-oxo-2H4H-[13]dithiolo[45-c]chromen-2-ylidene}propanedinitrile

SMILES

N#CC(C#N)=C1SC(C(Oc(cc2)c3cc2[N+]([O-])=O)=O)=C3S1

InChI

InChI=1S/C13H3N3O4S2/c14-4-6(5-15)13-21-10-8-3-7(16(18)19)1-2-9(8)20-12(17)11(10)22-13/h1-3H

InChI Key

PXKAGONWXQITGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-3.40

Polar Surface Area

88.941

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8008-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1013?
Check Price and Availability of 8008-1013, 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 8008-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1013
  • 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 8008-1013 available by request