6465-0734 Screening compound: 2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate

6465-0734 Screening compound: 2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate
6465-0734 Screening compound: 2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6465-0734
2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate

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

6465-0734

Molecular Formula

C27H42Cl2N2O6 (C27 H42 Cl2 N2 O6)

Compound Name

2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate

IUPAC name

2-(22-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate

SMILES

CCCCCCCCCCCCCCCC(OCC(C(c(cc1)ccc1[N+]([O-])=O)O)NC(C(Cl)Cl)=O)=O

InChI

InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)

InChI Key

PXKHGMGELZGJQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00058600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

23.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.280

Distribution Coefficient, logD

8.280

Water Solubility, LogSw

-5.85

Polar Surface Area

94.154

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.40

6465-0734 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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

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

References: we are preparing a list of scientific research reports with 6465-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6465-0734?
Check Price and Availability of 6465-0734, 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 6465-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6465-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6465-0734
  • 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 6465-0734 available by request