4395-0142 Screening compound: 3-[4-(4-chlorophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

4395-0142 Screening compound: 3-[4-(4-chlorophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid
4395-0142 Screening compound: 3-[4-(4-chlorophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4395-0142
3-[4-(4-chlorophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]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

4395-0142

Molecular Formula

C21H12ClNO5 (C21 H12 ClNO5)

Compound Name

3-[4-(4-chlorophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

IUPAC name

3-[4-(4-chlorophenoxy)-13-dioxo-23-dihydro-1H-isoindol-2-yl]benzoic acid

SMILES

OC(c1cccc(N(C(c2cccc(Oc(cc3)ccc3Cl)c22)=O)C2=O)c1)=O

InChI

InChI=1S/C21H12ClNO5/c22-13-7-9-15(10-8-13)28-17-6-2-5-16-18(17)20(25)23(19(16)24)14-4-1-3-12(11-14)21(26)27/h1-11H,(H,26,27)

InChI Key

KORJFUYIUKVFPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.78

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

3.960

Distribution Coefficient, logD

1.270

Water Solubility, LogSw

-4.55

Polar Surface Area

64.122

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4395-0142 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4395-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4395-0142?
Check Price and Availability of 4395-0142, 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 4395-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4395-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4395-0142
  • 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 4395-0142 available by request