1021-0119 Screening compound: 2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

1021-0119 Screening compound: 2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
1021-0119 Screening compound: 2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1021-0119
2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic 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

1021-0119

Molecular Formula

C23H17NO5 (C23 H17 NO5)

Compound Name

2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-[4-(23-dimethylphenoxy)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

Cc1cccc(Oc(cc2)ccc2N(C(c(cc2)c3cc2C(O)=O)=O)C3=O)c1C

InChI

InChI=1S/C23H17NO5/c1-13-4-3-5-20(14(13)2)29-17-9-7-16(8-10-17)24-21(25)18-11-6-15(23(27)28)12-19(18)22(24)26/h3-12H,1-2H3,(H,27,28)

InChI Key

BFIFBLMKFOYJPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00594152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.134

Distribution Coefficient, logD

1.157

Water Solubility, LogSw

-4.85

Polar Surface Area

64.122

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

1021-0119 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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 1021-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1021-0119?
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What is the minimum amount of 1021-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1021-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1021-0119
  • 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 1021-0119 available by request