8002-7472 Screening compound: 4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}phthalic acid

8002-7472 Screening compound: 4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}phthalic acid
8002-7472 Screening compound: 4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}phthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7472
4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}phthalic 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

8002-7472

Molecular Formula

C29H16N2O10 (C29 H16 N2 O10)

Compound Name

4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}phthalic acid

IUPAC name

4-{4-[5-(3-nitrobenzoyl)-13-dioxo-23-dihydro-1H-isoindol-2-yl]phenoxy}benzene-12-dicarboxylic acid

SMILES

[O-][N+](c1cc(C(c(cc2)cc(C(N3c(cc4)ccc4Oc(cc4)cc(C(O)=O)c4C(O)=O)=O)c2C3=O)=O)ccc1)=O

InChI

InChI=1S/C29H16N2O10/c32-25(15-2-1-3-18(12-15)31(39)40)16-4-10-21-23(13-16)27(34)30(26(21)33)17-5-7-19(8-6-17)41-20-9-11-22(28(35)36)24(14-20)29(37)38/h1-14H,(H,35,36)(H,37,38)

InChI Key

UTGWFUSSCONHOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.45

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

0.966

Water Solubility, LogSw

-5.12

Polar Surface Area

139.292

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-7472 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8002-7472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7472?
Check Price and Availability of 8002-7472, 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 8002-7472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7472
  • 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 8002-7472 available by request