N042-0040 Screening compound: 4-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-1,2-dihydroquinolin-2-one

N042-0040 Screening compound: 4-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-1,2-dihydroquinolin-2-one
N042-0040 Screening compound: 4-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N042-0040
4-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-1,2-dihydroquinolin-2-one

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

N042-0040

Molecular Formula

C19H25NO4 (C19 H25 NO4)

Compound Name

4-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-1,2-dihydroquinolin-2-one

IUPAC name

4-{[(2E)-67-dihydroxy-37-dimethyloct-2-en-1-yl]oxy}-12-dihydroquinolin-2-one

SMILES

CC(C)(C(CC/C(/C)=C/COC(c(cccc1)c1N1)=CC1=O)O)O

InChI

InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/t17-/m0/s1

InChI Key

PBWIOAMUZKICDN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00582416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.47

Polar Surface Area

64.040

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

N042-0040 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N042-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N042-0040?
Check Price and Availability of N042-0040, 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 N042-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N042-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N042-0040
  • 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 N042-0040 available by request