4123-0226 Screening compound: methyl 4-(N-benzylbenzenesulfonamido)benzoate

4123-0226 Screening compound: methyl 4-(N-benzylbenzenesulfonamido)benzoate
4123-0226 Screening compound: methyl 4-(N-benzylbenzenesulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4123-0226
methyl 4-(N-benzylbenzenesulfonamido)benzoate

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

4123-0226

Molecular Formula

C21H19NO4S (C21 H19 NO4 S)

Compound Name

methyl 4-(N-benzylbenzenesulfonamido)benzoate

IUPAC name

methyl 4-(N-benzylbenzenesulfonamido)benzoate

SMILES

COC(c(cc1)ccc1N(Cc1ccccc1)S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C21H19NO4S/c1-26-21(23)18-12-14-19(15-13-18)22(16-17-8-4-2-5-9-17)27(24,25)20-10-6-3-7-11-20/h2-15H,16H2,1H3

InChI Key

SDTGVGBUNAXTSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02856543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.38

Polar Surface Area

52.966

Acid Dissociation Constant (pKa)

25.25

Base Dissociation Constant (pKb)

-14.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4123-0226 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4123-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4123-0226?
Check Price and Availability of 4123-0226, 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 4123-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4123-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4123-0226
  • 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 4123-0226 available by request