3343-2801 Screening compound: 6-cyclopropyl-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-4-(4-fluorophenyl)-3-pyridyl cyanide

3343-2801 Screening compound: 6-cyclopropyl-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-4-(4-fluorophenyl)-3-pyridyl cyanide
3343-2801 Screening compound: 6-cyclopropyl-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-4-(4-fluorophenyl)-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-2801
6-cyclopropyl-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-4-(4-fluorophenyl)-3-pyridyl cyanide

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

3343-2801

Molecular Formula

C25H18FN3O2S (C25 H18 FN3 O2 S)

Compound Name

6-cyclopropyl-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-4-(4-fluorophenyl)-3-pyridyl cyanide

IUPAC name

n/a

SMILES

N#Cc(c(SCCN(C(c1c2cccc1)=O)C2=O)nc(C1CC1)c1)c1-c(cc1)ccc1F

InChI

InChI=1S/C25H18FN3O2S/c26-17-9-7-15(8-10-17)20-13-22(16-5-6-16)28-23(21(20)14-27)32-12-11-29-24(30)18-3-1-2-4-19(18)25(29)31/h1-4,7-10,13,16H,5-6,11-12H2

InChI Key

LKBNRJPXTWYXCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01892372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.64

Polar Surface Area

55.253

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3343-2801 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3343-2801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-2801?
Check Price and Availability of 3343-2801, 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 3343-2801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-2801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-2801
  • 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 3343-2801 available by request