0535-0708 Screening compound: 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylic acid

0535-0708 Screening compound: 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylic acid
0535-0708 Screening compound: 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0535-0708
2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylic acid

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

0535-0708

Molecular Formula

C14H6Cl3NO7 (C14 H6 Cl3 NO7)

Compound Name

2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylic acid

IUPAC name

2-nitro-5-(245-trichlorophenoxy)benzene-14-dicarboxylic acid

SMILES

[O-][N+](c(c(C(O)=O)c1)cc(C(O)=O)c1Oc(c(Cl)c1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C14H6Cl3NO7/c15-7-3-9(17)12(4-8(7)16)25-11-2-5(13(19)20)10(18(23)24)1-6(11)14(21)22/h1-4H,(H,19,20)(H,21,22)

InChI Key

ABHIMKZVRRZYKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

-0.927

Water Solubility, LogSw

-4.51

Polar Surface Area

97.056

Acid Dissociation Constant (pKa)

1.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0535-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0535-0708?
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What is the minimum amount of 0535-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0535-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0535-0708
  • 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 0535-0708 available by request