8014-2914 Screening compound: N~1~-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide

8014-2914 Screening compound: N~1~-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide
8014-2914 Screening compound: N~1~-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2914
N~1~-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide

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

8014-2914

Molecular Formula

C18H16N4O7 (C18 H16 N4 O7)

Compound Name

N~1~-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide

IUPAC name

N-(2-cyano-45-diethoxyphenyl)-35-dinitrobenzamide

SMILES

CCOc(c(OCC)c1)cc(C#N)c1NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C18H16N4O7/c1-3-28-16-7-12(10-19)15(9-17(16)29-4-2)20-18(23)11-5-13(21(24)25)8-14(6-11)22(26)27/h5-9H,3-4H2,1-2H3,(H,20,23)

InChI Key

SOYHVXJJUBZAAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

0.064

Water Solubility, LogSw

-3.05

Polar Surface Area

120.872

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 8014-2914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2914?
Check Price and Availability of 8014-2914, 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 8014-2914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2914
  • 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 8014-2914 available by request