4257-0631 Screening compound: ethyl 4-{2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamido}benzoate

4257-0631 Screening compound: ethyl 4-{2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamido}benzoate
4257-0631 Screening compound: ethyl 4-{2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4257-0631
ethyl 4-{2-[N-(2-phenylethyl)4-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

4257-0631

Molecular Formula

C26H28N2O5S (C26 H28 N2 O5 S)

Compound Name

ethyl 4-{2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamido}benzoate

IUPAC name

ethyl 4-{2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(CCc1ccccc1)S(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C26H28N2O5S/c1-3-33-26(30)22-11-13-23(14-12-22)27-25(29)19-28(18-17-21-7-5-4-6-8-21)34(31,32)24-15-9-20(2)10-16-24/h4-16H,3,17-19H2,1-2H3,(H,27,29)

InChI Key

JGPBCUWQEBTLPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01901023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.441

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.36

Polar Surface Area

75.224

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4257-0631 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 4257-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4257-0631?
Check Price and Availability of 4257-0631, 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 4257-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4257-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4257-0631
  • 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 4257-0631 available by request