0488-0546 Screening compound: cyclohexyl 3,5-dinitrobenzoate

0488-0546 Screening compound: cyclohexyl 3,5-dinitrobenzoate
0488-0546 Screening compound: cyclohexyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0546
cyclohexyl 3,5-dinitrobenzoate

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

0488-0546

Molecular Formula

C13H14N2O6 (C13 H14 N2 O6)

Compound Name

cyclohexyl 3,5-dinitrobenzoate

IUPAC name

cyclohexyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(OC2CCCCC2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C13H14N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h6-8,12H,1-5H2

InChI Key

WQRHLXDZHGLFIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00413359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.26

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.69

Polar Surface Area

87.085

Acid Dissociation Constant (pKa)

28.23

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0488-0546 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0488-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0546?
Check Price and Availability of 0488-0546, 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 0488-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0546
  • 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 0488-0546 available by request