0627-0059 Screening compound: 4-{N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoic acid

0627-0059 Screening compound: 4-{N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoic acid
0627-0059 Screening compound: 4-{N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0059
4-{N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}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

0627-0059

Molecular Formula

C18H14N2O5 (C18 H14 N2 O5)

Compound Name

4-{N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoic acid

IUPAC name

4-{N-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoic acid

SMILES

CC(N(CN(C(c1c2cccc1)=O)C2=O)c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C18H14N2O5/c1-11(21)19(13-8-6-12(7-9-13)18(24)25)10-20-16(22)14-4-2-3-5-15(14)17(20)23/h2-9H,10H2,1H3,(H,24,25)

InChI Key

HSHUQHPGCGFWGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

-0.092

Water Solubility, LogSw

-2.65

Polar Surface Area

75.684

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0627-0059 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 0627-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0059?
Check Price and Availability of 0627-0059, 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 0627-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0059
  • 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 0627-0059 available by request