G856-4114 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide

G856-4114 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide
G856-4114 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4114
N-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide

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

G856-4114

Molecular Formula

C20H21FN2O4 (C20 H21 FN2 O4)

Compound Name

N-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide

IUPAC name

N-[2-(2H-13-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)NCC(c(cc1)cc2c1OCO2)N1CCOCC1

InChI

InChI=1S/C20H21FN2O4/c21-16-4-2-1-3-15(16)20(24)22-12-17(23-7-9-25-10-8-23)14-5-6-18-19(11-14)27-13-26-18/h1-6,11,17H,7-10,12-13H2,(H,22,24)/t17-/m0/s1

InChI Key

ARLNZABIYRYLNF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06748948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.35

Polar Surface Area

52.665

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G856-4114 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with G856-4114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4114?
Check Price and Availability of G856-4114, 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 G856-4114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4114
  • 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 G856-4114 available by request