8004-0607 Screening compound: 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid

8004-0607 Screening compound: 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
8004-0607 Screening compound: 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0607
2-{[(1,3-dioxo-1,3-dihydro-2H-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

8004-0607

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cccc1)c1NCN(C(c1c2cccc1)=O)C2=O)=O

InChI

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

InChI Key

WQPFJGQCGCGPLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223510

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

3.024

Distribution Coefficient, logD

-0.686

Water Solubility, LogSw

-3.32

Polar Surface Area

68.361

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8004-0607 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0607?
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What is the minimum amount of 8004-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0607
  • 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 8004-0607 available by request