7668-0008 Screening compound: N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

7668-0008 Screening compound: N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
7668-0008 Screening compound: N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7668-0008
N-[4-(trifluoromethyl)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

7668-0008

Molecular Formula

C15H12F3NO4S (C15 H12 F3 NO4 S)

Compound Name

N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[4-(trifluoromethyl)phenyl]-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

O=S(c(cc1)cc2c1OCCO2)(Nc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C15H12F3NO4S/c16-15(17,18)10-1-3-11(4-2-10)19-24(20,21)12-5-6-13-14(9-12)23-8-7-22-13/h1-6,9,19H,7-8H2

InChI Key

CGRQZIGVGOUXFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04365572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.37

Polar Surface Area

56.711

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-10.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7668-0008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7668-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7668-0008?
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What is the minimum amount of 7668-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7668-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7668-0008
  • 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 7668-0008 available by request