Y032-4547 Screening compound: [1-(4-fluorobenzoyl)-3-piperidyl][4-(4-fluorophenyl)piperazino]methanone

Y032-4547 Screening compound: [1-(4-fluorobenzoyl)-3-piperidyl][4-(4-fluorophenyl)piperazino]methanone
Y032-4547 Screening compound: [1-(4-fluorobenzoyl)-3-piperidyl][4-(4-fluorophenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4547
[1-(4-fluorobenzoyl)-3-piperidyl][4-(4-fluorophenyl)piperazino]methanone

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

Y032-4547

Molecular Formula

C23H25F2N3O2 (C23 H25 F2 N3 O2)

Compound Name

[1-(4-fluorobenzoyl)-3-piperidyl][4-(4-fluorophenyl)piperazino]methanone

IUPAC name

1-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-4-(4-fluorophenyl)piperazine

SMILES

O=C(C(CCC1)CN1C(c(cc1)ccc1F)=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C23H25F2N3O2/c24-19-5-3-17(4-6-19)22(29)28-11-1-2-18(16-28)23(30)27-14-12-26(13-15-27)21-9-7-20(25)8-10-21/h3-10,18H,1-2,11-16H2/t18-/m0/s1

InChI Key

RFRZUFHCUMANHW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15179153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-2.97

Polar Surface Area

36.729

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

Y032-4547 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 Y032-4547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4547?
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What is the minimum amount of Y032-4547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4547
  • 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 Y032-4547 available by request