G856-4253 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

G856-4253 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
G856-4253 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4253
N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

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

G856-4253

Molecular Formula

C27H28FN3O4 (C27 H28 FN3 O4)

Compound Name

N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

IUPAC name

N-[2-(2H-13-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCC(c(cc1)cc2c1OCO2)N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C27H28FN3O4/c1-33-23-9-2-19(3-10-23)27(32)29-17-24(20-4-11-25-26(16-20)35-18-34-25)31-14-12-30(13-15-31)22-7-5-21(28)6-8-22/h2-11,16,24H,12-15,17-18H2,1H3,(H,29,32)/t24-/m0/s1

InChI Key

KSJAIARYCHJZFF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD07646026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.26

Polar Surface Area

55.561

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

G856-4253 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G856-4253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4253?
Check Price and Availability of G856-4253, 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 G856-4253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4253
  • 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 G856-4253 available by request