8005-4236 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 4-(phenylcarbamoyl)butanoate

8005-4236 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 4-(phenylcarbamoyl)butanoate
8005-4236 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 4-(phenylcarbamoyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4236
(2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 4-(phenylcarbamoyl)butanoate

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

8005-4236

Molecular Formula

C25H23N5O7 (C25 H23 N5 O7)

Compound Name

(2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 4-(phenylcarbamoyl)butanoate

IUPAC name

(2E)-2-[2-(24-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 4-(phenylcarbamoyl)butanoate

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/COC(CCCC(Nc1ccccc1)=O)=O)\c1ccccc1)=O

InChI

InChI=1S/C25H23N5O7/c31-24(26-19-10-5-2-6-11-19)12-7-13-25(32)37-17-22(18-8-3-1-4-9-18)28-27-21-15-14-20(29(33)34)16-23(21)30(35)36/h1-6,8-11,14-16,27H,7,12-13,17H2,(H,26,31)

InChI Key

PSOZROHNDYYTBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-4.88

Polar Surface Area

130.151

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8005-4236 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 8005-4236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4236?
Check Price and Availability of 8005-4236, 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 8005-4236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4236
  • 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 8005-4236 available by request