3406-0096 Screening compound: 4-(3-nitrophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

3406-0096 Screening compound: 4-(3-nitrophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
3406-0096 Screening compound: 4-(3-nitrophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3406-0096
4-(3-nitrophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

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

3406-0096

Molecular Formula

C16H14N2O4 (C16 H14 N2 O4)

Compound Name

4-(3-nitrophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

IUPAC name

4-(3-nitrophenyl)-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

[O-][N+](c1cc(N(C(C2C(CC3)C=CC3C22)=O)C2=O)ccc1)=O

InChI

InChI=1S/C16H14N2O4/c19-15-13-9-4-5-10(7-6-9)14(13)16(20)17(15)11-2-1-3-12(8-11)18(21)22/h1-5,8-10,13-14H,6-7H2

InChI Key

FRSVFUDGZCTKMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01067481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-2.14

Polar Surface Area

62.374

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-7.46

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 3406-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3406-0096?
Check Price and Availability of 3406-0096, 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 3406-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0096
  • 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 3406-0096 available by request