8009-6035 Screening compound: 4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile

8009-6035 Screening compound: 4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile
8009-6035 Screening compound: 4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6035
4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile

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

8009-6035

Molecular Formula

C21H12N4O6 (C21 H12 N4 O6)

Compound Name

4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile

IUPAC name

4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile

SMILES

Cc1cc(Oc(ccc(C#N)c2)c2[N+]([O-])=O)cc(Oc(ccc(C#N)c2)c2[N+]([O-])=O)c1

InChI

InChI=1S/C21H12N4O6/c1-13-6-16(30-20-4-2-14(11-22)8-18(20)24(26)27)10-17(7-13)31-21-5-3-15(12-23)9-19(21)25(28)29/h2-10H,1H3

InChI Key

IDBNPJPEWUVRMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01435617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-4.14

Polar Surface Area

114.181

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8009-6035 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8009-6035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6035?
Check Price and Availability of 8009-6035, 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 8009-6035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6035
  • 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 8009-6035 available by request