3063-0110 Screening compound: octyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate

3063-0110 Screening compound: octyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
3063-0110 Screening compound: octyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3063-0110
octyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate

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

3063-0110

Molecular Formula

C17H26N2O5 (C17 H26 N2 O5)

Compound Name

octyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate

IUPAC name

octyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate

SMILES

CCCCCCCCOC(C(Cc(cc1)cc([N+]([O-])=O)c1O)N)=O

InChI

InChI=1S/C17H26N2O5/c1-2-3-4-5-6-7-10-24-17(21)14(18)11-13-8-9-16(20)15(12-13)19(22)23/h8-9,12,14,20H,2-7,10-11,18H2,1H3/t14-/m0/s1

InChI Key

ZIEJDWACCIGWMP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01027075

Chemical and Physical Properties

Saltdata

p-CH3C6H4SO3H

Molecular Weight

338.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.19

Polar Surface Area

91.704

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

3063-0110 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3063-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3063-0110?
Check Price and Availability of 3063-0110, 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 3063-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3063-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3063-0110
  • 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 3063-0110 available by request