S424-0502 Screening compound: 2-methyl-2-(oxan-4-yl)propanoic acid

S424-0502 Screening compound: 2-methyl-2-(oxan-4-yl)propanoic acid
S424-0502 Screening compound: 2-methyl-2-(oxan-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S424-0502
2-methyl-2-(oxan-4-yl)propanoic 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

S424-0502

Molecular Formula

C9H16O3 (C9 H16 O3)

Compound Name

2-methyl-2-(oxan-4-yl)propanoic acid

IUPAC name

2-methyl-2-(oxan-4-yl)propanoic acid

SMILES

CC(C)(C1CCOCC1)C(O)=O

InChI

InChI=1S/C9H16O3/c1-9(2,8(10)11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H,10,11)

InChI Key

WSSGLIOHZIVSFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18374731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

172.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.634

Distribution Coefficient, logD

-0.690

Water Solubility, LogSw

-1.18

Polar Surface Area

36.747

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

88.89

S424-0502 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S424-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S424-0502?
Check Price and Availability of S424-0502, 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 S424-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S424-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S424-0502
  • 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 S424-0502 available by request