0559-0424 Screening compound: N-(3,5-dimethylphenyl)-2,4-dinitronaphthalen-1-amine

0559-0424 Screening compound: N-(3,5-dimethylphenyl)-2,4-dinitronaphthalen-1-amine
0559-0424 Screening compound: N-(3,5-dimethylphenyl)-2,4-dinitronaphthalen-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0559-0424
N-(3,5-dimethylphenyl)-2,4-dinitronaphthalen-1-amine

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

0559-0424

Molecular Formula

C18H15N3O4 (C18 H15 N3 O4)

Compound Name

N-(3,5-dimethylphenyl)-2,4-dinitronaphthalen-1-amine

IUPAC name

N-(35-dimethylphenyl)-24-dinitronaphthalen-1-amine

SMILES

Cc1cc(Nc(c2ccccc2c([N+]([O-])=O)c2)c2[N+]([O-])=O)cc(C)c1

InChI

InChI=1S/C18H15N3O4/c1-11-7-12(2)9-13(8-11)19-18-15-6-4-3-5-14(15)16(20(22)23)10-17(18)21(24)25/h3-10,19H,1-2H3

InChI Key

RDBFLRLIAJBLEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00474609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.949

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-4.95

Polar Surface Area

73.645

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0559-0424 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0559-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0559-0424?
Check Price and Availability of 0559-0424, 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 0559-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0559-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0559-0424
  • 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 0559-0424 available by request