2018-0020 Screening compound: (Z)-4-chloro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

2018-0020 Screening compound: (Z)-4-chloro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
2018-0020 Screening compound: (Z)-4-chloro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2018-0020
(Z)-4-chloro-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

2018-0020

Molecular Formula

C14H13ClN2O2S (C14 H13 ClN2 O2 S)

Compound Name

(Z)-4-chloro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

IUPAC name

(Z)-4-chloro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

SMILES

Cc(cc1)ccc1S(/N=C(/c(cc1)ccc1Cl)\N)(=O)=O

InChI

InChI=1S/C14H13ClN2O2S/c1-10-2-8-13(9-3-10)20(18,19)17-14(16)11-4-6-12(15)7-5-11/h2-9H,1H3,(H2,16,17)

InChI Key

XWUBQXKTAVXQFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00818367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.90

Polar Surface Area

59.737

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2018-0020 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2018-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2018-0020?
Check Price and Availability of 2018-0020, 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 2018-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2018-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2018-0020
  • 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 2018-0020 available by request