K846-0005 Screening compound: 3-methyl-2-{[3-oxo-3-(4-propoxyphenyl)propyl]amino}butanoic acid

K846-0005 Screening compound: 3-methyl-2-{[3-oxo-3-(4-propoxyphenyl)propyl]amino}butanoic acid
K846-0005 Screening compound: 3-methyl-2-{[3-oxo-3-(4-propoxyphenyl)propyl]amino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K846-0005
3-methyl-2-{[3-oxo-3-(4-propoxyphenyl)propyl]amino}butanoic 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

K846-0005

Molecular Formula

C17H25NO4 (C17 H25 NO4)

Compound Name

3-methyl-2-{[3-oxo-3-(4-propoxyphenyl)propyl]amino}butanoic acid

IUPAC name

3-methyl-2-{[3-oxo-3-(4-propoxyphenyl)propyl]amino}butanoic acid

SMILES

CCCOc(cc1)ccc1C(CCNC(C(C)C)C(O)=O)=O

InChI

InChI=1S/C17H25NO4/c1-4-11-22-14-7-5-13(6-8-14)15(19)9-10-18-16(12(2)3)17(20)21/h5-8,12,16,18H,4,9-11H2,1-3H3,(H,20,21)/t16-/m0/s1

InChI Key

VOHOCFQZBUJFRB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03452449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

-1.508

Water Solubility, LogSw

-2.01

Polar Surface Area

60.333

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

K846-0005 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 K846-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K846-0005?
Check Price and Availability of K846-0005, 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 K846-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K846-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K846-0005
  • 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 K846-0005 available by request