5612-0139 Screening compound: 2-{2-[(2-hydroxy-5-nitrophenyl)carbamoyl]ethyl}hexanoic acid

5612-0139 Screening compound: 2-{2-[(2-hydroxy-5-nitrophenyl)carbamoyl]ethyl}hexanoic acid
5612-0139 Screening compound: 2-{2-[(2-hydroxy-5-nitrophenyl)carbamoyl]ethyl}hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5612-0139
2-{2-[(2-hydroxy-5-nitrophenyl)carbamoyl]ethyl}hexanoic 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

5612-0139

Molecular Formula

C15H20N2O6 (C15 H20 N2 O6)

Compound Name

2-{2-[(2-hydroxy-5-nitrophenyl)carbamoyl]ethyl}hexanoic acid

IUPAC name

2-{2-[(2-hydroxy-5-nitrophenyl)carbamoyl]ethyl}hexanoic acid

SMILES

CCCCC(CCC(Nc(cc(cc1)[N+]([O-])=O)c1O)=O)C(O)=O

InChI

InChI=1S/C15H20N2O6/c1-2-3-4-10(15(20)21)5-8-14(19)16-12-9-11(17(22)23)6-7-13(12)18/h6-7,9-10,18H,2-5,8H2,1H3,(H,16,19)(H,20,21)/t10-/m0/s1

InChI Key

BMZCNZLWTPUWNG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03827663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

-0.227

Water Solubility, LogSw

-2.78

Polar Surface Area

101.028

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

5612-0139 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5612-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5612-0139?
Check Price and Availability of 5612-0139, 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 5612-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5612-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5612-0139
  • 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 5612-0139 available by request