C429-0027 Screening compound: 4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid

C429-0027 Screening compound: 4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
C429-0027 Screening compound: 4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0027
4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic 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

C429-0027

Molecular Formula

C13H15NO3S (C13 H15 NO3 S)

Compound Name

4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid

IUPAC name

(2S)-4-(methylsulfanyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanoic acid

SMILES

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

InChI

InChI=1S/C13H15NO3S/c1-18-7-6-11(13(16)17)14-8-9-4-2-3-5-10(9)12(14)15/h2-5,11H,6-8H2,1H3,(H,16,17)/t11-/m0/s1

InChI Key

IQXRWPVUENIJCR-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.304

Distribution Coefficient, logD

-2.407

Water Solubility, LogSw

-2.29

Polar Surface Area

44.656

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

C429-0027 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C429-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0027?
Check Price and Availability of C429-0027, 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 C429-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0027
  • 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 C429-0027 available by request