3668-0001 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4-nitrobenzoic acid

3668-0001 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4-nitrobenzoic acid
3668-0001 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3668-0001
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4-nitrobenzoic acid

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

3668-0001

Molecular Formula

C16H14N2O6 (C16 H14 N2 O6)

Compound Name

2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4-nitrobenzoic acid

IUPAC name

2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}-4-nitrobenzoic acid

SMILES

[O-][N+](c(cc1)cc(N(C(C2C3C4CC2CC4)=O)C3=O)c1C(O)=O)=O

InChI

InChI=1S/C16H14N2O6/c19-14-12-7-1-2-8(5-7)13(12)15(20)17(14)11-6-9(18(23)24)3-4-10(11)16(21)22/h3-4,6-8,12-13H,1-2,5H2,(H,21,22)

InChI Key

FOILVJIBZXSNNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

-3.945

Water Solubility, LogSw

-2.27

Polar Surface Area

91.213

Acid Dissociation Constant (pKa)

1.86

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

43.80

3668-0001 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3668-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3668-0001?
Check Price and Availability of 3668-0001, 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 3668-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3668-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3668-0001
  • 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 3668-0001 available by request