Y020-6459 Screening compound: 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-octahydro-1H-isoindole-1,3-dione

Y020-6459 Screening compound: 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-octahydro-1H-isoindole-1,3-dione
Y020-6459 Screening compound: 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6459
2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-octahydro-1H-isoindole-1,3-dione

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

Y020-6459

Molecular Formula

C27H30FN3O3 (C27 H30 FN3 O3)

Compound Name

2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-octahydro-1H-isoindole-13-dione

SMILES

O=C(C(Cc1ccccc1)N(C(C1C2CCCC1)=O)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C27H30FN3O3/c28-20-10-12-21(13-11-20)29-14-16-30(17-15-29)27(34)24(18-19-6-2-1-3-7-19)31-25(32)22-8-4-5-9-23(22)26(31)33/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2

InChI Key

MBLLDACENSQOTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03147198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.10

Polar Surface Area

48.517

Acid Dissociation Constant (pKa)

19.40

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.40

Y020-6459 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-6459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6459?
Check Price and Availability of Y020-6459, 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 Y020-6459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6459
  • 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 Y020-6459 available by request