K058-0333 Screening compound: (E)-N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

K058-0333 Screening compound: (E)-N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
K058-0333 Screening compound: (E)-N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K058-0333
(E)-N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

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

K058-0333

Molecular Formula

C23H19FN2O5S (C23 H19 FN2 O5 S)

Compound Name

(E)-N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

IUPAC name

(E)-N-(6-acetyl-2H-13-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

SMILES

CC(c(cc1OCOc1c1)c1N/C(/c(cc1)ccc1F)=N/S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C23H19FN2O5S/c1-14-3-9-18(10-4-14)32(28,29)26-23(16-5-7-17(24)8-6-16)25-20-12-22-21(30-13-31-22)11-19(20)15(2)27/h3-12H,13H2,1-2H3,(H,25,26)

InChI Key

YCSJIVGPAAZGMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-4.35

Polar Surface Area

78.933

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K058-0333 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K058-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K058-0333?
Check Price and Availability of K058-0333, 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 K058-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K058-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K058-0333
  • 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 K058-0333 available by request