Y206-3052 Screening compound: 3-{[(2-methoxyphenethyl)amino]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid

Y206-3052 Screening compound: 3-{[(2-methoxyphenethyl)amino]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Y206-3052 Screening compound: 3-{[(2-methoxyphenethyl)amino]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-3052
3-{[(2-methoxyphenethyl)amino]carbonyl}bicyclo[2.2.2]octane-2-carboxylic 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

Y206-3052

Molecular Formula

C19H25NO4 (C19 H25 NO4)

Compound Name

3-{[(2-methoxyphenethyl)amino]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid

IUPAC name

3-{[2-(2-methoxyphenyl)ethyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid

SMILES

COc1c(CCNC(C(C2CCC3CC2)C3C(O)=O)=O)cccc1

InChI

InChI=1S/C19H25NO4/c1-24-15-5-3-2-4-12(15)10-11-20-18(21)16-13-6-8-14(9-7-13)17(16)19(22)23/h2-5,13-14,16-17H,6-11H2,1H3,(H,20,21)(H,22,23)

InChI Key

QCJXMBWUGIQKNN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

0.212

Water Solubility, LogSw

-3.36

Polar Surface Area

60.645

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.89

Y206-3052 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-3052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-3052?
Check Price and Availability of Y206-3052, 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 Y206-3052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-3052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-3052
  • 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 Y206-3052 available by request