C618-0921 Screening compound: 2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

C618-0921 Screening compound: 2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
C618-0921 Screening compound: 2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0921
2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}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

C618-0921

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

IUPAC name

2-{8-methyl-4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

SMILES

Cc(cc1)cc(-c2c3cnn2CC(NCCc(cc2)ccc2SC)=O)c1OC3=O

InChI

InChI=1S/C22H21N3O3S/c1-14-3-8-19-17(11-14)21-18(22(27)28-19)12-24-25(21)13-20(26)23-10-9-15-4-6-16(29-2)7-5-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,26)

InChI Key

ZALLLUYKRSTFEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.67

Polar Surface Area

58.771

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C618-0921 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C618-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0921?
Check Price and Availability of C618-0921, 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 C618-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0921
  • 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 C618-0921 available by request