2039-0553 Screening compound: 2,4-dichloro-1-({2-[(1E)-2-nitroethenyl]phenoxy}methyl)benzene

2039-0553 Screening compound: 2,4-dichloro-1-({2-[(1E)-2-nitroethenyl]phenoxy}methyl)benzene
2039-0553 Screening compound: 2,4-dichloro-1-({2-[(1E)-2-nitroethenyl]phenoxy}methyl)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0553
2,4-dichloro-1-({2-[(1E)-2-nitroethenyl]phenoxy}methyl)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

2039-0553

Molecular Formula

C15H11Cl2NO3 (C15 H11 Cl2 NO3)

Compound Name

2,4-dichloro-1-({2-[(1E)-2-nitroethenyl]phenoxy}methyl)benzene

IUPAC name

24-dichloro-1-({2-[(1E)-2-nitroethenyl]phenoxy}methyl)benzene

SMILES

[O-][N+](/C=C/c(cccc1)c1OCc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C15H11Cl2NO3/c16-13-6-5-12(14(17)9-13)10-21-15-4-2-1-3-11(15)7-8-18(19)20/h1-9H,10H2

InChI Key

GWBKXMFYIKOTPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-5.54

Polar Surface Area

44.812

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

2039-0553 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2039-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0553?
Check Price and Availability of 2039-0553, 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 2039-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0553
  • 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 2039-0553 available by request