D117-0011 Screening compound: 2-{[3-hydroxy-3-(4-methoxyphenyl)propyl]amino}-4-methylpentanoic acid

D117-0011 Screening compound: 2-{[3-hydroxy-3-(4-methoxyphenyl)propyl]amino}-4-methylpentanoic acid
D117-0011 Screening compound: 2-{[3-hydroxy-3-(4-methoxyphenyl)propyl]amino}-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0011
2-{[3-hydroxy-3-(4-methoxyphenyl)propyl]amino}-4-methylpentanoic 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

D117-0011

Molecular Formula

C16H25NO4 (C16 H25 NO4)

Compound Name

2-{[3-hydroxy-3-(4-methoxyphenyl)propyl]amino}-4-methylpentanoic acid

IUPAC name

2-{[3-hydroxy-3-(4-methoxyphenyl)propyl]amino}-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NCCC(c(cc1)ccc1OC)O

InChI

InChI=1S/C16H25NO4/c1-11(2)10-14(16(19)20)17-9-8-15(18)12-4-6-13(21-3)7-5-12/h4-7,11,14-15,17-18H,8-10H2,1-3H3,(H,19,20)

InChI Key

CDEQKWCYOZFXID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

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

1.023

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-1.76

Polar Surface Area

63.643

Acid Dissociation Constant (pKa)

2.53

Base Dissociation Constant (pKb)

9.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

D117-0011 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D117-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0011?
Check Price and Availability of D117-0011, 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 D117-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0011
  • 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 D117-0011 available by request