8002-9531 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-ethoxyphenyl 4-nitrobenzoate

8002-9531 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-ethoxyphenyl 4-nitrobenzoate
8002-9531 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-ethoxyphenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9531
4-[(E)-{[2-(2,2-diphenylacetamido)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

8002-9531

Molecular Formula

C32H28N4O7 (C32 H28 N4 O7)

Compound Name

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

IUPAC name

4-[(E)-{[2-(22-diphenylacetamido)acetamido]imino}methyl]-2-ethoxyphenyl 4-nitrobenzoate

SMILES

CCOc(cc(/C=N/NC(CNC(C(c1ccccc1)c1ccccc1)=O)=O)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C32H28N4O7/c1-2-42-28-19-22(13-18-27(28)43-32(39)25-14-16-26(17-15-25)36(40)41)20-34-35-29(37)21-33-31(38)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,30H,2,21H2,1H3,(H,33,38)(H,35,37)

InChI Key

BFPLNSGFZUBVNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.139

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.17

Polar Surface Area

120.810

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8002-9531 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8002-9531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9531?
Check Price and Availability of 8002-9531, 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 8002-9531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9531
  • 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 8002-9531 available by request