5664-0350 Screening compound: 3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanoic acid

5664-0350 Screening compound: 3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanoic acid
5664-0350 Screening compound: 3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0350
3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)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

5664-0350

Molecular Formula

C17H24O4 (C17 H24 O4)

Compound Name

3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanoic acid

IUPAC name

3-(22-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanoic acid

SMILES

CC(C)(C1)OCCC1C(CC(O)=O)c(cc1)ccc1OC

InChI

InChI=1S/C17H24O4/c1-17(2)11-13(8-9-21-17)15(10-16(18)19)12-4-6-14(20-3)7-5-12/h4-7,13,15H,8-11H2,1-3H3,(H,18,19)

InChI Key

TXLJOEPPAWCDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02633887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

-0.013

Water Solubility, LogSw

-2.96

Polar Surface Area

43.286

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

5664-0350 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5664-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0350?
Check Price and Availability of 5664-0350, 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 5664-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0350
  • 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 5664-0350 available by request