Y206-6386 Screening compound: 3-{[4-(3-chlorophenyl)piperazino]carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid

Y206-6386 Screening compound: 3-{[4-(3-chlorophenyl)piperazino]carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Y206-6386 Screening compound: 3-{[4-(3-chlorophenyl)piperazino]carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-6386
3-{[4-(3-chlorophenyl)piperazino]carbonyl}bicyclo[2.2.2]oct-5-ene-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

Y206-6386

Molecular Formula

C20H23ClN2O3 (C20 H23 ClN2 O3)

Compound Name

3-{[4-(3-chlorophenyl)piperazino]carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid

IUPAC name

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid

SMILES

OC(C(C1C=CC2CC1)C2C(N(CC1)CCN1c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C20H23ClN2O3/c21-15-2-1-3-16(12-15)22-8-10-23(11-9-22)19(24)17-13-4-6-14(7-5-13)18(17)20(25)26/h1-4,6,12-14,17-18H,5,7-11H2,(H,25,26)

InChI Key

DZUJQBDSCVJZSY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

0.656

Water Solubility, LogSw

-3.20

Polar Surface Area

48.668

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

Y206-6386 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 Y206-6386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-6386?
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What is the minimum amount of Y206-6386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-6386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-6386
  • 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 Y206-6386 available by request