Y030-3959 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine

Y030-3959 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine
Y030-3959 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3959
1-(5-chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine

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

Y030-3959

Molecular Formula

C18H18Cl2N2O2 (C18 H18 Cl2 N2 O2)

Compound Name

1-(5-chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine

IUPAC name

1-(5-chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine

SMILES

COc(ccc(Cl)c1)c1C(N(CC1)CCN1c1cc(Cl)ccc1)=O

InChI

InChI=1S/C18H18Cl2N2O2/c1-24-17-6-5-14(20)12-16(17)18(23)22-9-7-21(8-10-22)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3

InChI Key

XBTHMXPSSTYETL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01920873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.37

Polar Surface Area

27.777

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y030-3959 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y030-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3959?
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What is the minimum amount of Y030-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3959
  • 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 Y030-3959 available by request