4413-0112 Screening compound: methyl 4-[2-(N-benzyl4-methoxybenzenesulfonamido)acetamido]benzoate

4413-0112 Screening compound: methyl 4-[2-(N-benzyl4-methoxybenzenesulfonamido)acetamido]benzoate
4413-0112 Screening compound: methyl 4-[2-(N-benzyl4-methoxybenzenesulfonamido)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0112
methyl 4-[2-(N-benzyl4-methoxybenzenesulfonamido)acetamido]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

4413-0112

Molecular Formula

C24H24N2O6S (C24 H24 N2 O6 S)

Compound Name

methyl 4-[2-(N-benzyl4-methoxybenzenesulfonamido)acetamido]benzoate

IUPAC name

methyl 4-[2-(N-benzyl4-methoxybenzenesulfonamido)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CN(Cc1ccccc1)S(c(cc1)ccc1OC)(=O)=O)=O)=O

InChI

InChI=1S/C24H24N2O6S/c1-31-21-12-14-22(15-13-21)33(29,30)26(16-18-6-4-3-5-7-18)17-23(27)25-20-10-8-19(9-11-20)24(28)32-2/h3-15H,16-17H2,1-2H3,(H,25,27)

InChI Key

CDHGRLWCABETKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.28

Polar Surface Area

83.209

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4413-0112 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 4413-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0112?
Check Price and Availability of 4413-0112, 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 4413-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0112
  • 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 4413-0112 available by request