K822-0341 Screening compound: 2-{[4-allyl-5-(2-quinolyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-furylmethyl)acetamide

K822-0341 Screening compound: 2-{[4-allyl-5-(2-quinolyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-furylmethyl)acetamide
K822-0341 Screening compound: 2-{[4-allyl-5-(2-quinolyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0341
2-{[4-allyl-5-(2-quinolyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-furylmethyl)acetamide

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

K822-0341

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

2-{[4-allyl-5-(2-quinolyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-furylmethyl)acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

C=CCn1c(SCC(NCc2ccco2)=O)nnc1-c1nc2ccccc2cc1

InChI

InChI=1S/C21H19N5O2S/c1-2-11-26-20(18-10-9-15-6-3-4-8-17(15)23-18)24-25-21(26)29-14-19(27)22-13-16-7-5-12-28-16/h2-10,12H,1,11,13-14H2,(H,22,27)

InChI Key

PNNPDXTXHQHWMF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-4.29

Polar Surface Area

64.770

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

K822-0341 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K822-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0341?
Check Price and Availability of K822-0341, 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 K822-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0341
  • 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 K822-0341 available by request