2112-0002 Screening compound: N~1~-[(Z)-1-(4-acetylanilino)-1-phenylmethylidene]-4-methyl-1-benzenesulfonamide

2112-0002 Screening compound: N~1~-[(Z)-1-(4-acetylanilino)-1-phenylmethylidene]-4-methyl-1-benzenesulfonamide
2112-0002 Screening compound: N~1~-[(Z)-1-(4-acetylanilino)-1-phenylmethylidene]-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2112-0002
N~1~-[(Z)-1-(4-acetylanilino)-1-phenylmethylidene]-4-methyl-1-benzenesulfonamide

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

2112-0002

Molecular Formula

C22H20N2O3S (C22 H20 N2 O3 S)

Compound Name

N~1~-[(Z)-1-(4-acetylanilino)-1-phenylmethylidene]-4-methyl-1-benzenesulfonamide

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1N/C(/c1ccccc1)=N\S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C22H20N2O3S/c1-16-8-14-21(15-9-16)28(26,27)24-22(19-6-4-3-5-7-19)23-20-12-10-18(11-13-20)17(2)25/h3-15H,1-2H3,(H,23,24)

InChI Key

QRQFQWXERYEBSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01407964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.28

Polar Surface Area

62.516

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 2112-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2112-0002?
Check Price and Availability of 2112-0002, 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 2112-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2112-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2112-0002
  • 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 2112-0002 available by request