C430-0018 Screening compound: 3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid

C430-0018 Screening compound: 3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid
C430-0018 Screening compound: 3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0018
3-methyl-2-(1-oxo-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

C430-0018

Molecular Formula

C14H17NO3 (C14 H17 NO3)

Compound Name

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

IUPAC name

(2S)-3-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanoic acid

SMILES

CCC(C)C(C(O)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C14H17NO3/c1-3-9(2)12(14(17)18)15-8-10-6-4-5-7-11(10)13(15)16/h4-7,9,12H,3,8H2,1-2H3,(H,17,18)/t9?,12-/m0/s1

InChI Key

SDNDNHOVHJTJPB-ACGXKRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.793

Distribution Coefficient, logD

-1.888

Water Solubility, LogSw

-2.53

Polar Surface Area

44.691

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

C430-0018 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C430-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0018?
Check Price and Availability of C430-0018, 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 C430-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0018
  • 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 C430-0018 available by request