2112-0013 Screening compound: (Z)-N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)-N-methylbenzenecarboximidamide

2112-0013 Screening compound: (Z)-N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)-N-methylbenzenecarboximidamide
2112-0013 Screening compound: (Z)-N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)-N-methylbenzenecarboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2112-0013
(Z)-N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)-N-methylbenzenecarboximidamide

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

2112-0013

Molecular Formula

C20H18N2O3S (C20 H18 N2 O3 S)

Compound Name

(Z)-N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)-N-methylbenzenecarboximidamide

IUPAC name

(Z)-N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)-N-methylbenzenecarboximidamide

SMILES

CN(/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O)c(cc1)ccc1O

InChI

InChI=1S/C20H18N2O3S/c1-22(17-12-14-18(23)15-13-17)20(16-8-4-2-5-9-16)21-26(24,25)19-10-6-3-7-11-19/h2-15,23H,1H3

InChI Key

WYRANDZRMSANKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01794875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.55

Polar Surface Area

59.032

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

2112-0013 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 2112-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2112-0013?
Check Price and Availability of 2112-0013, 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 2112-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2112-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2112-0013
  • 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 2112-0013 available by request