1804-0026 Screening compound: 2-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}propanedinitrile

1804-0026 Screening compound: 2-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}propanedinitrile
1804-0026 Screening compound: 2-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1804-0026
2-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}propanedinitrile

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

1804-0026

Molecular Formula

C18H12N4O6 (C18 H12 N4 O6)

Compound Name

2-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}propanedinitrile

IUPAC name

2-{[4-(24-dinitrophenoxy)-3-ethoxyphenyl]methylidene}propanedinitrile

SMILES

CCOc(cc(C=C(C#N)C#N)cc1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H12N4O6/c1-2-27-18-8-12(7-13(10-19)11-20)3-5-17(18)28-16-6-4-14(21(23)24)9-15(16)22(25)26/h3-9H,2H2,1H3

InChI Key

DKXZGHBZRWOIDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.32

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-4.01

Polar Surface Area

114.944

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 1804-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1804-0026?
Check Price and Availability of 1804-0026, 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 1804-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1804-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1804-0026
  • 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 1804-0026 available by request