6788-2537 Screening compound: N-(4-fluoro-2-methylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide

6788-2537 Screening compound: N-(4-fluoro-2-methylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide
6788-2537 Screening compound: N-(4-fluoro-2-methylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6788-2537
N-(4-fluoro-2-methylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide

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

6788-2537

Molecular Formula

C18H16FNO5S2 (C18 H16 FNO5 S2)

Compound Name

N-(4-fluoro-2-methylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide

IUPAC name

N-(4-fluoro-2-methylbenzenesulfonyl)-N-(2-oxo-2H-13-benzoxathiol-5-yl)butanamide

SMILES

CCCC(N(c(cc1)cc(S2)c1OC2=O)S(c(cc1)c(C)cc1F)(=O)=O)=O

InChI

InChI=1S/C18H16FNO5S2/c1-3-4-17(21)20(13-6-7-14-15(10-13)26-18(22)25-14)27(23,24)16-8-5-12(19)9-11(16)2/h5-10H,3-4H2,1-2H3

InChI Key

BDZWNTJYNZNHMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08163636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-3.98

Polar Surface Area

67.363

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-15.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 6788-2537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6788-2537?
Check Price and Availability of 6788-2537, 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 6788-2537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6788-2537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6788-2537
  • 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 6788-2537 available by request