2922-2018 Screening compound: 3-[2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid

2922-2018 Screening compound: 3-[2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid
2922-2018 Screening compound: 3-[2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-2018
3-[2-(2-methylphenyl)-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

2922-2018

Molecular Formula

C23H16N2O5 (C23 H16 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(C(c(cc1)c2cc1C(Nc1cc(C(O)=O)ccc1)=O)=O)C2=O

InChI

InChI=1S/C23H16N2O5/c1-13-5-2-3-8-19(13)25-21(27)17-10-9-14(12-18(17)22(25)28)20(26)24-16-7-4-6-15(11-16)23(29)30/h2-12H,1H3,(H,24,26)(H,29,30)

InChI Key

QFQYYRZFOAVOBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01025957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-4.28

Polar Surface Area

80.078

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2922-2018 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2922-2018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2922-2018?
Check Price and Availability of 2922-2018, 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 2922-2018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-2018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-2018
  • 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 2922-2018 available by request