3272-0170 Screening compound: methyl 4-[(E)-{[2-(N-phenyl2-nitrobenzenesulfonamido)acetamido]imino}methyl]benzoate

3272-0170 Screening compound: methyl 4-[(E)-{[2-(N-phenyl2-nitrobenzenesulfonamido)acetamido]imino}methyl]benzoate
3272-0170 Screening compound: methyl 4-[(E)-{[2-(N-phenyl2-nitrobenzenesulfonamido)acetamido]imino}methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-0170
methyl 4-[(E)-{[2-(N-phenyl2-nitrobenzenesulfonamido)acetamido]imino}methyl]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

3272-0170

Molecular Formula

C23H20N4O7S (C23 H20 N4 O7 S)

Compound Name

methyl 4-[(E)-{[2-(N-phenyl2-nitrobenzenesulfonamido)acetamido]imino}methyl]benzoate

IUPAC name

methyl 4-[(E)-{[2-(N-phenyl2-nitrobenzenesulfonamido)acetamido]imino}methyl]benzoate

SMILES

COC(c1ccc(/C=N/NC(CN(c2ccccc2)S(c(cccc2)c2[N+]([O-])=O)(=O)=O)=O)cc1)=O

InChI

InChI=1S/C23H20N4O7S/c1-34-23(29)18-13-11-17(12-14-18)15-24-25-22(28)16-26(19-7-3-2-4-8-19)35(32,33)21-10-6-5-9-20(21)27(30)31/h2-15H,16H2,1H3,(H,25,28)

InChI Key

UHJRQXWDNLNVRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01030851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.71

Polar Surface Area

121.421

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3272-0170 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3272-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-0170?
Check Price and Availability of 3272-0170, 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 3272-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-0170
  • 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 3272-0170 available by request