K222-0418 Screening compound: 3-butanoyl-2H-chromen-2-one

K222-0418 Screening compound: 3-butanoyl-2H-chromen-2-one
K222-0418 Screening compound: 3-butanoyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K222-0418
3-butanoyl-2H-chromen-2-one

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

K222-0418

Molecular Formula

C13H12O3 (C13 H12 O3)

Compound Name

3-butanoyl-2H-chromen-2-one

IUPAC name

3-butanoyl-2H-chromen-2-one

SMILES

CCCC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C13H12O3/c1-2-5-11(14)10-8-9-6-3-4-7-12(9)16-13(10)15/h3-4,6-8H,2,5H2,1H3

InChI Key

HMTUJOLTTSWOHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00052893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-2.86

Polar Surface Area

34.407

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K222-0418 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with K222-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K222-0418?
Check Price and Availability of K222-0418, 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 K222-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K222-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K222-0418
  • 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 K222-0418 available by request