3683-0538 Screening compound: 3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)propanoic acid

3683-0538 Screening compound: 3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)propanoic acid
3683-0538 Screening compound: 3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0538
3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)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

3683-0538

Molecular Formula

C18H26O3 (C18 H26 O3)

Compound Name

3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)propanoic acid

IUPAC name

3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)propanoic acid

SMILES

CCC(C)(C1)OCCC1C(CC(O)=O)c1ccc(C)cc1

InChI

InChI=1S/C18H26O3/c1-4-18(3)12-15(9-10-21-18)16(11-17(19)20)14-7-5-13(2)6-8-14/h5-8,15-16H,4,9-12H2,1-3H3,(H,19,20)

InChI Key

CCIIGJMLEDCZPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

0.875

Water Solubility, LogSw

-3.69

Polar Surface Area

35.936

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.10

3683-0538 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 3683-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0538?
Check Price and Availability of 3683-0538, 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 3683-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0538
  • 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 3683-0538 available by request