6024-0185 Screening compound: (Z)-N-benzyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

6024-0185 Screening compound: (Z)-N-benzyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
6024-0185 Screening compound: (Z)-N-benzyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6024-0185
(Z)-N-benzyl-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

6024-0185

Molecular Formula

C21H19FN2O2S (C21 H19 FN2 O2 S)

Compound Name

(Z)-N-benzyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

IUPAC name

(Z)-N-benzyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

SMILES

Cc(cc1)ccc1S(/N=C(/c(cc1)ccc1F)\NCc1ccccc1)(=O)=O

InChI

InChI=1S/C21H19FN2O2S/c1-16-7-13-20(14-8-16)27(25,26)24-21(18-9-11-19(22)12-10-18)23-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,23,24)

InChI Key

LXYGNDSLCCEQQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.34

Polar Surface Area

50.011

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

6024-0185 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6024-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6024-0185?
Check Price and Availability of 6024-0185, 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 6024-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6024-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6024-0185
  • 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 6024-0185 available by request