0988-0254 Screening compound: 4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoic acid

0988-0254 Screening compound: 4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoic acid
0988-0254 Screening compound: 4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0254
4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}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

0988-0254

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc1)ccc1NCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C16H12N2O4/c19-14-12-3-1-2-4-13(12)15(20)18(14)9-17-11-7-5-10(6-8-11)16(21)22/h1-8,17H,9H2,(H,21,22)

InChI Key

ZITMAWACKWDYKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

0.194

Water Solubility, LogSw

-3.05

Polar Surface Area

69.059

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0988-0254 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0988-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0254?
Check Price and Availability of 0988-0254, 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 0988-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0254
  • 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 0988-0254 available by request