0075-0078 Screening compound: 1,4-dimethyl 2-(2,4-dichlorophenoxy)-5-nitrobenzene-1,4-dicarboxylate

0075-0078 Screening compound: 1,4-dimethyl 2-(2,4-dichlorophenoxy)-5-nitrobenzene-1,4-dicarboxylate
0075-0078 Screening compound: 1,4-dimethyl 2-(2,4-dichlorophenoxy)-5-nitrobenzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0075-0078
1,4-dimethyl 2-(2,4-dichlorophenoxy)-5-nitrobenzene-1,4-dicarboxylate

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

0075-0078

Molecular Formula

C16H11Cl2NO7 (C16 H11 Cl2 NO7)

Compound Name

1,4-dimethyl 2-(2,4-dichlorophenoxy)-5-nitrobenzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-(24-dichlorophenoxy)-5-nitrobenzene-14-dicarboxylate

SMILES

COC(c(c([N+]([O-])=O)c1)cc(Oc(ccc(Cl)c2)c2Cl)c1C(OC)=O)=O

InChI

InChI=1S/C16H11Cl2NO7/c1-24-15(20)9-7-14(26-13-4-3-8(17)5-11(13)18)10(16(21)25-2)6-12(9)19(22)23/h3-7H,1-2H3

InChI Key

FHIUPXYTCWJITB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.17

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.77

Polar Surface Area

82.588

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0075-0078 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0075-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0075-0078?
Check Price and Availability of 0075-0078, 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 0075-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0075-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0075-0078
  • 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 0075-0078 available by request