4088-0216 Screening compound: 2-cyclopentylidene-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile

4088-0216 Screening compound: 2-cyclopentylidene-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
4088-0216 Screening compound: 2-cyclopentylidene-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4088-0216
2-cyclopentylidene-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile

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

4088-0216

Molecular Formula

C19H14N2O2S (C19 H14 N2 O2 S)

Compound Name

2-cyclopentylidene-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile

IUPAC name

2-cyclopentylidene-2-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]acetonitrile

SMILES

N#CC(c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C1CCCC1

InChI

InChI=1S/C19H14N2O2S/c20-10-15(12-5-1-2-6-12)18-21-16(11-24-18)14-9-13-7-3-4-8-17(13)23-19(14)22/h3-4,7-9,11H,1-2,5-6H2

InChI Key

QYROMSWMJQHODQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.53

Polar Surface Area

48.237

Acid Dissociation Constant (pKa)

26.51

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4088-0216 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4088-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4088-0216?
Check Price and Availability of 4088-0216, 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 4088-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4088-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4088-0216
  • 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 4088-0216 available by request