0672-0389 Screening compound: 3-[(heptylsulfanyl)carbonyl]-2H-chromen-2-one

0672-0389 Screening compound: 3-[(heptylsulfanyl)carbonyl]-2H-chromen-2-one
0672-0389 Screening compound: 3-[(heptylsulfanyl)carbonyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0672-0389
3-[(heptylsulfanyl)carbonyl]-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

0672-0389

Molecular Formula

C17H20O3S (C17 H20 O3 S)

Compound Name

3-[(heptylsulfanyl)carbonyl]-2H-chromen-2-one

IUPAC name

3-[(heptylsulfanyl)carbonyl]-2H-chromen-2-one

SMILES

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

InChI

InChI=1S/C17H20O3S/c1-2-3-4-5-8-11-21-17(19)14-12-13-9-6-7-10-15(13)20-16(14)18/h6-7,9-10,12H,2-5,8,11H2,1H3

InChI Key

MJQUDUSNAMYUPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00416392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-5.11

Polar Surface Area

34.432

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 0672-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0672-0389?
Check Price and Availability of 0672-0389, 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 0672-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0672-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0672-0389
  • 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 0672-0389 available by request