D117-0012 Screening compound: 2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}propanoic acid

D117-0012 Screening compound: 2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}propanoic acid
D117-0012 Screening compound: 2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0012
2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}propanoic 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

D117-0012

Molecular Formula

C15H23NO4 (C15 H23 NO4)

Compound Name

2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}propanoic acid

IUPAC name

2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}propanoic acid

SMILES

CCCOc1ccc(C(CCNC(C)C(O)=O)O)cc1

InChI

InChI=1S/C15H23NO4/c1-3-10-20-13-6-4-12(5-7-13)14(17)8-9-16-11(2)15(18)19/h4-7,11,14,16-17H,3,8-10H2,1-2H3,(H,18,19)

InChI Key

CTWGYGZEHNWBTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.216

Distribution Coefficient, logD

1.216

Water Solubility, LogSw

-1.87

Polar Surface Area

63.049

Acid Dissociation Constant (pKa)

2.50

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

D117-0012 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D117-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0012?
Check Price and Availability of D117-0012, 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 D117-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0012
  • 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 D117-0012 available by request