4577-2451 Screening compound: N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

4577-2451 Screening compound: N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
4577-2451 Screening compound: N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-2451
N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-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

4577-2451

Molecular Formula

C21H19NO4S2 (C21 H19 NO4 S2)

Compound Name

N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-{4-[(phenylsulfanyl)methyl]phenyl}-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

O=S(c(cc1)cc2c1OCCO2)(Nc1ccc(CSc2ccccc2)cc1)=O

InChI

InChI=1S/C21H19NO4S2/c23-28(24,19-10-11-20-21(14-19)26-13-12-25-20)22-17-8-6-16(7-9-17)15-27-18-4-2-1-3-5-18/h1-11,14,22H,12-13,15H2

InChI Key

DKAVWNBAASRBMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03082361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.55

Polar Surface Area

56.440

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 4577-2451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-2451?
Check Price and Availability of 4577-2451, 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 4577-2451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-2451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-2451
  • 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 4577-2451 available by request