G856-4282 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide

G856-4282 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
G856-4282 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4282
N-[2-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-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

G856-4282

Molecular Formula

C27H28FN3O4 (C27 H28 FN3 O4)

Compound Name

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

IUPAC name

N-[2-(2H-13-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide

SMILES

COc1cccc(C(NCC(c(cc2)cc3c2OCO3)N(CC2)CCN2c(cccc2)c2F)=O)c1

InChI

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

InChI Key

CLESYFHZTRCHRY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD07646071

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

4.357

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.33

Polar Surface Area

55.260

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

G856-4282 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G856-4282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4282?
Check Price and Availability of G856-4282, 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 G856-4282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4282
  • 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 G856-4282 available by request