4413-0023 Screening compound: METHYL 4-[2-(N-BENZYL4-METHYLBENZENESULFONAMIDO)ACETAMIDO]BENZOATE

4413-0023 Screening compound: METHYL 4-[2-(N-BENZYL4-METHYLBENZENESULFONAMIDO)ACETAMIDO]BENZOATE
4413-0023 Screening compound: METHYL 4-[2-(N-BENZYL4-METHYLBENZENESULFONAMIDO)ACETAMIDO]BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0023
METHYL 4-[2-(N-BENZYL4-METHYLBENZENESULFONAMIDO)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

4413-0023

Molecular Formula

C24H24N2O5S (C24 H24 N2 O5 S)

Compound Name

METHYL 4-[2-(N-BENZYL4-METHYLBENZENESULFONAMIDO)ACETAMIDO]BENZOATE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1S(N(CC(Nc(cc1)ccc1C(OC)=O)=O)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C24H24N2O5S/c1-18-8-14-22(15-9-18)32(29,30)26(16-19-6-4-3-5-7-19)17-23(27)25-21-12-10-20(11-13-21)24(28)31-2/h3-15H,16-17H2,1-2H3,(H,25,27)

InChI Key

IZPMQHGTSIPGMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.43

Polar Surface Area

75.665

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4413-0023 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Integrin Receptors Targeted library (1715 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4413-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0023?
Check Price and Availability of 4413-0023, 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 4413-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0023
  • 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 4413-0023 available by request