K822-0338 Screening compound: N-(2,4-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

K822-0338 Screening compound: N-(2,4-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
K822-0338 Screening compound: N-(2,4-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0338
N-(2,4-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

K822-0338

Molecular Formula

C24H23N5OS (C24 H23 N5 OS)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nnc(-c2nc3ccccc3cc2)n1CC=C)=O

InChI

InChI=1S/C24H23N5OS/c1-4-13-29-23(21-12-10-18-7-5-6-8-20(18)25-21)27-28-24(29)31-15-22(30)26-19-11-9-16(2)14-17(19)3/h4-12,14H,1,13,15H2,2-3H3,(H,26,30)

InChI Key

SWTSURAYEJKJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04966747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-5.21

Polar Surface Area

55.001

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K822-0338 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with K822-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0338?
Check Price and Availability of K822-0338, 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 K822-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0338
  • 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 K822-0338 available by request