3289-4003 Screening compound: 4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid

3289-4003 Screening compound: 4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid
3289-4003 Screening compound: 4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3289-4003
4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}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

3289-4003

Molecular Formula

C21H12N2O7 (C21 H12 N2 O7)

Compound Name

4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid

IUPAC name

4-{[2-(4-nitrophenyl)-13-dioxo-23-dihydro-1H-isoindol-5-yl]oxy}benzoic acid

SMILES

[O-][N+](c(cc1)ccc1N(C(c(cc1)c2cc1Oc(cc1)ccc1C(O)=O)=O)C2=O)=O

InChI

InChI=1S/C21H12N2O7/c24-19-17-10-9-16(30-15-7-1-12(2-8-15)21(26)27)11-18(17)20(25)22(19)13-3-5-14(6-4-13)23(28)29/h1-11H,(H,26,27)

InChI Key

XKKIVARYZMQYCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00335210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

1.791

Water Solubility, LogSw

-4.40

Polar Surface Area

97.417

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-8.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3289-4003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3289-4003?
Check Price and Availability of 3289-4003, 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 3289-4003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3289-4003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3289-4003
  • 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 3289-4003 available by request