4325-0094 Screening compound: methyl 4-(2-{N-[(4-methylphenyl)methyl]4-methylbenzenesulfonamido}acetamido)benzoate

4325-0094 Screening compound: methyl 4-(2-{N-[(4-methylphenyl)methyl]4-methylbenzenesulfonamido}acetamido)benzoate
4325-0094 Screening compound: methyl 4-(2-{N-[(4-methylphenyl)methyl]4-methylbenzenesulfonamido}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4325-0094
methyl 4-(2-{N-[(4-methylphenyl)methyl]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

4325-0094

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

methyl 4-(2-{N-[(4-methylphenyl)methyl]4-methylbenzenesulfonamido}acetamido)benzoate

IUPAC name

methyl 4-(2-{N-[(4-methylphenyl)methyl]4-methylbenzenesulfonamido}acetamido)benzoate

SMILES

Cc1ccc(CN(CC(Nc(cc2)ccc2C(OC)=O)=O)S(c2ccc(C)cc2)(=O)=O)cc1

InChI

InChI=1S/C25H26N2O5S/c1-18-4-8-20(9-5-18)16-27(33(30,31)23-14-6-19(2)7-15-23)17-24(28)26-22-12-10-21(11-13-22)25(29)32-3/h4-15H,16-17H2,1-3H3,(H,26,28)

InChI Key

JYYNELLKJWGOCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

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

5.126

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-4.97

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

20.00

4325-0094 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 4325-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4325-0094?
Check Price and Availability of 4325-0094, 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 4325-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4325-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4325-0094
  • 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 4325-0094 available by request