5555-0245 Screening compound: 2-[3-oxo-3-(2-phenylacetohydrazido)propyl]hexanoic acid

5555-0245 Screening compound: 2-[3-oxo-3-(2-phenylacetohydrazido)propyl]hexanoic acid
5555-0245 Screening compound: 2-[3-oxo-3-(2-phenylacetohydrazido)propyl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5555-0245
2-[3-oxo-3-(2-phenylacetohydrazido)propyl]hexanoic acid

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

5555-0245

Molecular Formula

C17H24N2O4 (C17 H24 N2 O4)

Compound Name

2-[3-oxo-3-(2-phenylacetohydrazido)propyl]hexanoic acid

IUPAC name

2-[3-oxo-3-(2-phenylacetohydrazido)propyl]hexanoic acid

SMILES

CCCCC(CCC(NNC(Cc1ccccc1)=O)=O)C(O)=O

InChI

InChI=1S/C17H24N2O4/c1-2-3-9-14(17(22)23)10-11-15(20)18-19-16(21)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t14-/m0/s1

InChI Key

OILSVLBOXFOZHH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03613419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.472

Distribution Coefficient, logD

-0.858

Water Solubility, LogSw

-1.75

Polar Surface Area

79.688

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

5555-0245 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5555-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5555-0245?
Check Price and Availability of 5555-0245, 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 5555-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5555-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5555-0245
  • 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 5555-0245 available by request