8002-5973 Screening compound: 4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]-2-ethoxyphenyl 4-nitrobenzoate

8002-5973 Screening compound: 4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]-2-ethoxyphenyl 4-nitrobenzoate
8002-5973 Screening compound: 4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]-2-ethoxyphenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-5973
4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]-2-ethoxyphenyl 4-nitrobenzoate

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

8002-5973

Molecular Formula

C27H26N4O9 (C27 H26 N4 O9)

Compound Name

4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]-2-ethoxyphenyl 4-nitrobenzoate

IUPAC name

4-[(E)-({2-[(34-dimethoxyphenyl)formamido]acetamido}imino)methyl]-2-ethoxyphenyl 4-nitrobenzoate

SMILES

CCOc(cc(/C=N/NC(CNC(c(cc1)cc(OC)c1OC)=O)=O)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C27H26N4O9/c1-4-39-24-13-17(5-11-22(24)40-27(34)18-6-9-20(10-7-18)31(35)36)15-29-30-25(32)16-28-26(33)19-8-12-21(37-2)23(14-19)38-3/h5-15H,4,16H2,1-3H3,(H,28,33)(H,30,32)

InChI Key

OXVPXUICPZUKBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.53

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.74

Polar Surface Area

136.343

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

8002-5973 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 8002-5973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-5973?
Check Price and Availability of 8002-5973, 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 8002-5973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-5973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-5973
  • 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 8002-5973 available by request