0242-0586 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid

0242-0586 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid
0242-0586 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0586
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic 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

0242-0586

Molecular Formula

C13H13NO4 (C13 H13 NO4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)pentanoic acid

SMILES

CCCC(C(O)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C13H13NO4/c1-2-5-10(13(17)18)14-11(15)8-6-3-4-7-9(8)12(14)16/h3-4,6-7,10H,2,5H2,1H3,(H,17,18)/t10-/m0/s1

InChI Key

ROTMDPBBCASFCW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00447115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

-2.272

Water Solubility, LogSw

-2.48

Polar Surface Area

57.096

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

0242-0586 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0242-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0586?
Check Price and Availability of 0242-0586, 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 0242-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0586
  • 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 0242-0586 available by request