5495-0002 Screening compound: (E)-N-methyl-N'-(4-methylbenzenesulfonyl)-N-phenylbenzenecarboximidamide

5495-0002 Screening compound: (E)-N-methyl-N'-(4-methylbenzenesulfonyl)-N-phenylbenzenecarboximidamide
5495-0002 Screening compound: (E)-N-methyl-N'-(4-methylbenzenesulfonyl)-N-phenylbenzenecarboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5495-0002
(E)-N-methyl-N'-(4-methylbenzenesulfonyl)-N-phenylbenzenecarboximidamide

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

5495-0002

Molecular Formula

C21H20N2O2S (C21 H20 N2 O2 S)

Compound Name

(E)-N-methyl-N'-(4-methylbenzenesulfonyl)-N-phenylbenzenecarboximidamide

IUPAC name

(E)-N-methyl-N'-(4-methylbenzenesulfonyl)-N-phenylbenzenecarboximidamide

SMILES

Cc(cc1)ccc1S(/N=C(\c1ccccc1)/N(C)c1ccccc1)(=O)=O

InChI

InChI=1S/C21H20N2O2S/c1-17-13-15-20(16-14-17)26(24,25)22-21(18-9-5-3-6-10-18)23(2)19-11-7-4-8-12-19/h3-16H,1-2H3

InChI Key

VEDFPFNFUGDZLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02584755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.35

Polar Surface Area

41.414

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 5495-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5495-0002?
Check Price and Availability of 5495-0002, 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 5495-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5495-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5495-0002
  • 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 5495-0002 available by request