2112-0023 Screening compound: (Z)-N'-(4-bromobenzenesulfonyl)-2-methyl-N-phenylbenzene-1-carboximidamide

2112-0023 Screening compound: (Z)-N'-(4-bromobenzenesulfonyl)-2-methyl-N-phenylbenzene-1-carboximidamide
2112-0023 Screening compound: (Z)-N'-(4-bromobenzenesulfonyl)-2-methyl-N-phenylbenzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2112-0023
(Z)-N'-(4-bromobenzenesulfonyl)-2-methyl-N-phenylbenzene-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

2112-0023

Molecular Formula

C20H17BrN2O2S (C20 H17 BrN2 O2 S)

Compound Name

(Z)-N'-(4-bromobenzenesulfonyl)-2-methyl-N-phenylbenzene-1-carboximidamide

IUPAC name

(Z)-N'-(4-bromobenzenesulfonyl)-2-methyl-N-phenylbenzene-1-carboximidamide

SMILES

Cc(cccc1)c1/C(/Nc1ccccc1)=N/S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C20H17BrN2O2S/c1-15-7-5-6-10-19(15)20(22-17-8-3-2-4-9-17)23-26(24,25)18-13-11-16(21)12-14-18/h2-14H,1H3,(H,22,23)

InChI Key

NDIZGRQJLRJAJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.37

Polar Surface Area

48.689

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

2112-0023 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2112-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2112-0023?
Check Price and Availability of 2112-0023, 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 2112-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2112-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2112-0023
  • 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 2112-0023 available by request