0764-0829 Screening compound: N-[2-(2,4,6-trinitrophenyl)ethyl]naphthalen-1-amine

0764-0829 Screening compound: N-[2-(2,4,6-trinitrophenyl)ethyl]naphthalen-1-amine
0764-0829 Screening compound: N-[2-(2,4,6-trinitrophenyl)ethyl]naphthalen-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0764-0829
N-[2-(2,4,6-trinitrophenyl)ethyl]naphthalen-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

0764-0829

Molecular Formula

C18H14N4O6 (C18 H14 N4 O6)

Compound Name

N-[2-(2,4,6-trinitrophenyl)ethyl]naphthalen-1-amine

IUPAC name

N-[2-(246-trinitrophenyl)ethyl]naphthalen-1-amine

SMILES

[O-][N+](c1cc([N+]([O-])=O)c(CCNc2cccc3ccccc23)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C18H14N4O6/c23-20(24)13-10-17(21(25)26)15(18(11-13)22(27)28)8-9-19-16-7-3-5-12-4-1-2-6-14(12)16/h1-7,10-11,19H,8-9H2

InChI Key

KKCWUKVYAPMZOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.404

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-4.63

Polar Surface Area

108.888

Acid Dissociation Constant (pKa)

20.62

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

0764-0829 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 0764-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0764-0829?
Check Price and Availability of 0764-0829, 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 0764-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0764-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0764-0829
  • 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 0764-0829 available by request