2039-0550 Screening compound: 1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]benzene

2039-0550 Screening compound: 1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]benzene
2039-0550 Screening compound: 1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0550
1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]benzene

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

2039-0550

Molecular Formula

C17H16ClNO4 (C17 H16 ClNO4)

Compound Name

1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]benzene

IUPAC name

1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]benzene

SMILES

C/C(/[N+]([O-])=O)=C/c(cc1)cc(OC)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C17H16ClNO4/c1-12(19(20)21)9-13-7-8-16(17(10-13)22-2)23-11-14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3

InChI Key

FYIWPEZHWMFQFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01360158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.56

Polar Surface Area

47.821

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

2039-0550 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2039-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0550?
Check Price and Availability of 2039-0550, 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 2039-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0550
  • 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 2039-0550 available by request