3285-2456 Screening compound: 4-[(4-acetylphenyl)amino]-5-nitrobenzene-1,2-dicarbonitrile

3285-2456 Screening compound: 4-[(4-acetylphenyl)amino]-5-nitrobenzene-1,2-dicarbonitrile
3285-2456 Screening compound: 4-[(4-acetylphenyl)amino]-5-nitrobenzene-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3285-2456
4-[(4-acetylphenyl)amino]-5-nitrobenzene-1,2-dicarbonitrile

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

3285-2456

Molecular Formula

C16H10N4O3 (C16 H10 N4 O3)

Compound Name

4-[(4-acetylphenyl)amino]-5-nitrobenzene-1,2-dicarbonitrile

IUPAC name

4-[(4-acetylphenyl)amino]-5-nitrobenzene-12-dicarbonitrile

SMILES

CC(c(cc1)ccc1Nc(cc(c(C#N)c1)C#N)c1[N+]([O-])=O)=O

InChI

InChI=1S/C16H10N4O3/c1-10(21)11-2-4-14(5-3-11)19-15-6-12(8-17)13(9-18)7-16(15)20(22)23/h2-7,19H,1H3

InChI Key

NWXPYICGTQTGFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.80

Polar Surface Area

89.473

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-9.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 3285-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3285-2456?
Check Price and Availability of 3285-2456, 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 3285-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3285-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3285-2456
  • 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 3285-2456 available by request