5224-4287 Screening compound: 2,4,6-trimethyl-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

5224-4287 Screening compound: 2,4,6-trimethyl-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide
5224-4287 Screening compound: 2,4,6-trimethyl-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5224-4287
2,4,6-trimethyl-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

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

5224-4287

Molecular Formula

C20H17NO4S2 (C20 H17 NO4 S2)

Compound Name

2,4,6-trimethyl-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

IUPAC name

246-trimethyl-N-{2-oxo-2H-naphtho[21-d][13]oxathiol-5-yl}benzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1S(Nc(c1ccccc11)cc(S2)c1OC2=O)(=O)=O

InChI

InChI=1S/C20H17NO4S2/c1-11-8-12(2)19(13(3)9-11)27(23,24)21-16-10-17-18(25-20(22)26-17)15-7-5-4-6-14(15)16/h4-10,21H,1-3H3

InChI Key

GGXDJNVUYKWESR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-5.67

Polar Surface Area

61.675

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-11.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 5224-4287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5224-4287?
Check Price and Availability of 5224-4287, 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 5224-4287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5224-4287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5224-4287
  • 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 5224-4287 available by request