8006-7506 Screening compound: N-{3-[({2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]acetyl}amino)methyl]benzyl}-N-(tetrahydro-2-furanylmethyl)ethanediamide

8006-7506 Screening compound: N-{3-[({2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]acetyl}amino)methyl]benzyl}-N-(tetrahydro-2-furanylmethyl)ethanediamide
8006-7506 Screening compound: N-{3-[({2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]acetyl}amino)methyl]benzyl}-N-(tetrahydro-2-furanylmethyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7506
N-{3-[({2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]acetyl}amino)methyl]benzyl}-N-(tetrahydro-2-furanylmethyl)ethanediamide

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

8006-7506

Molecular Formula

C22H30N4O6 (C22 H30 N4 O6)

Compound Name

N-{3-[({2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]acetyl}amino)methyl]benzyl}-N-(tetrahydro-2-furanylmethyl)ethanediamide

IUPAC name

N-[(oxolan-2-yl)methyl]-N'-({3-[({[(oxolan-2-yl)methyl]carbamoyl}formamido)methyl]phenyl}methyl)ethanediamide

SMILES

O=C(C(NCc1cccc(CNC(C(NCC2OCCC2)=O)=O)c1)=O)NCC1OCCC1

InChI

InChI=1S/C22H30N4O6/c27-19(21(29)25-13-17-6-2-8-31-17)23-11-15-4-1-5-16(10-15)12-24-20(28)22(30)26-14-18-7-3-9-32-18/h1,4-5,10,17-18H,2-3,6-9,11-14H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)

InChI Key

AXWKSNPIOGRPMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.119

Distribution Coefficient, logD

-1.151

Water Solubility, LogSw

-1.58

Polar Surface Area

115.744

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

8006-7506 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8006-7506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7506?
Check Price and Availability of 8006-7506, 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 8006-7506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7506
  • 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 8006-7506 available by request