K222-0479 Screening compound: 3-[2-(4-tert-butylbenzenesulfonyl)acetyl]-6-methyl-2H-chromen-2-one

K222-0479 Screening compound: 3-[2-(4-tert-butylbenzenesulfonyl)acetyl]-6-methyl-2H-chromen-2-one
K222-0479 Screening compound: 3-[2-(4-tert-butylbenzenesulfonyl)acetyl]-6-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K222-0479
3-[2-(4-tert-butylbenzenesulfonyl)acetyl]-6-methyl-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

K222-0479

Molecular Formula

C22H22O5S (C22 H22 O5 S)

Compound Name

3-[2-(4-tert-butylbenzenesulfonyl)acetyl]-6-methyl-2H-chromen-2-one

IUPAC name

3-[2-(4-tert-butylbenzenesulfonyl)acetyl]-6-methyl-2H-chromen-2-one

SMILES

CC(C)(C)c(cc1)ccc1S(CC(C1=Cc(cc(C)cc2)c2OC1=O)=O)(=O)=O

InChI

InChI=1S/C22H22O5S/c1-14-5-10-20-15(11-14)12-18(21(24)27-20)19(23)13-28(25,26)17-8-6-16(7-9-17)22(2,3)4/h5-12H,13H2,1-4H3

InChI Key

JAHOWVSLPWEVNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.50

Polar Surface Area

63.172

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K222-0479 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K222-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K222-0479?
Check Price and Availability of K222-0479, 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 K222-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K222-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K222-0479
  • 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 K222-0479 available by request