3683-0550 Screening compound: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic acid

3683-0550 Screening compound: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic acid
3683-0550 Screening compound: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0550
2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic 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

3683-0550

Molecular Formula

C17H24O4 (C17 H24 O4)

Compound Name

2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic acid

IUPAC name

2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic acid

SMILES

CCC(C)(C1)OCCC1(CC(O)=O)c(cc1)ccc1OC

InChI

InChI=1S/C17H24O4/c1-4-16(2)12-17(9-10-21-16,11-15(18)19)13-5-7-14(20-3)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,18,19)

InChI Key

HLGMPFVKTVGBFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897903

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

3.387

Distribution Coefficient, logD

0.648

Water Solubility, LogSw

-3.22

Polar Surface Area

43.480

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

3683-0550 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3683-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0550?
Check Price and Availability of 3683-0550, 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 3683-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0550
  • 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 3683-0550 available by request