C790-0269 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}benzonitrile

C790-0269 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}benzonitrile
C790-0269 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0269
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}benzonitrile

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

C790-0269

Molecular Formula

C19H18FN3O2 (C19 H18 FN3 O2)

Compound Name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}benzonitrile

IUPAC name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}benzonitrile

SMILES

N#Cc(cccc1)c1OCC(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C19H18FN3O2/c20-16-6-2-3-7-17(16)22-9-11-23(12-10-22)19(24)14-25-18-8-4-1-5-15(18)13-21/h1-8H,9-12,14H2

InChI Key

QTUHEKLQTMAFFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07706211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.316

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-2.80

Polar Surface Area

43.961

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C790-0269 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 C790-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0269?
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What is the minimum amount of C790-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0269
  • 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 C790-0269 available by request