1606-0398 Screening compound: 3-[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid

1606-0398 Screening compound: 3-[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid
1606-0398 Screening compound: 3-[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1606-0398
3-[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]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

1606-0398

Molecular Formula

C22H13N3O7 (C22 H13 N3 O7)

Compound Name

3-[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid

IUPAC name

3-[2-(3-nitrophenyl)-13-dioxo-23-dihydro-1H-isoindole-5-amido]benzoic acid

SMILES

[O-][N+](c1cc(N(C(c(cc2)c3cc2C(Nc2cc(C(O)=O)ccc2)=O)=O)C3=O)ccc1)=O

InChI

InChI=1S/C22H13N3O7/c26-19(23-14-4-1-3-13(9-14)22(29)30)12-7-8-17-18(10-12)21(28)24(20(17)27)15-5-2-6-16(11-15)25(31)32/h1-11H,(H,23,26)(H,29,30)

InChI Key

YDRPTMITLOHSBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01028005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

0.930

Water Solubility, LogSw

-4.11

Polar Surface Area

113.761

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1606-0398 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 1606-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1606-0398?
Check Price and Availability of 1606-0398, 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 1606-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1606-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1606-0398
  • 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 1606-0398 available by request