F818-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F818-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F818-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F818-0861
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-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

F818-0861

Molecular Formula

C17H16N2O5S2 (C17 H16 N2 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-ethyl-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

CCN(c(ccc(S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C17H16N2O5S2/c1-2-19-13-5-4-12(8-16(13)25-17(19)20)26(21,22)18-9-11-3-6-14-15(7-11)24-10-23-14/h3-8,18H,2,9-10H2,1H3

InChI Key

HDDWZAKWAAIPTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.517

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-3.93

Polar Surface Area

74.681

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

F818-0861 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with F818-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F818-0861?
Check Price and Availability of F818-0861, 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 F818-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F818-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F818-0861
  • 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 F818-0861 available by request