C430-0040 Screening compound: 2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

C430-0040 Screening compound: 2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
C430-0040 Screening compound: 2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0040
2-(3-methoxypropyl)-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

C430-0040

Molecular Formula

C13H13NO5 (C13 H13 NO5)

Compound Name

2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-(3-methoxypropyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

COCCCN(C(c(cc1)c2cc1C(O)=O)=O)C2=O

InChI

InChI=1S/C13H13NO5/c1-19-6-2-5-14-11(15)9-4-3-8(13(17)18)7-10(9)12(14)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)

InChI Key

FDOUOUHZOGGPIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.553

Distribution Coefficient, logD

-2.425

Water Solubility, LogSw

-2.11

Polar Surface Area

66.492

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C430-0040 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C430-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0040?
Check Price and Availability of C430-0040, 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 C430-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0040
  • 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 C430-0040 available by request