8006-3362 Screening compound: 2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

8006-3362 Screening compound: 2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid
8006-3362 Screening compound: 2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3362
2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic 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

8006-3362

Molecular Formula

C21H11N3O9 (C21 H11 N3 O9)

Compound Name

2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

IUPAC name

2-nitro-4-[5-(4-nitrophenoxy)-13-dioxo-23-dihydro-1H-isoindol-2-yl]benzoic acid

SMILES

[O-][N+](c(cc1)ccc1Oc(cc1)cc(C(N2c(cc3)cc([N+]([O-])=O)c3C(O)=O)=O)c1C2=O)=O

InChI

InChI=1S/C21H11N3O9/c25-19-15-8-6-14(33-13-4-1-11(2-5-13)23(29)30)10-17(15)20(26)22(19)12-3-7-16(21(27)28)18(9-12)24(31)32/h1-10H,(H,27,28)

InChI Key

DOLJMYMGCAPLGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00320891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.33

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

-0.043

Water Solubility, LogSw

-4.22

Polar Surface Area

130.498

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

-8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8006-3362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3362?
Check Price and Availability of 8006-3362, 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 8006-3362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3362
  • 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 8006-3362 available by request