D117-0010 Screening compound: 2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}-4-methylpentanoic acid

D117-0010 Screening compound: 2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}-4-methylpentanoic acid
D117-0010 Screening compound: 2-{[3-hydroxy-3-(4-propoxyphenyl)propyl]amino}-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0010
2-{[3-hydroxy-3-(4-propoxyphenyl)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

D117-0010

Molecular Formula

C18H29NO4 (C18 H29 NO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H29NO4/c1-4-11-23-15-7-5-14(6-8-15)17(20)9-10-19-16(18(21)22)12-13(2)3/h5-8,13,16-17,19-20H,4,9-12H2,1-3H3,(H,21,22)

InChI Key

CFYWYMRLJHXHEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.000

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.45

Polar Surface Area

63.517

Acid Dissociation Constant (pKa)

2.53

Base Dissociation Constant (pKb)

9.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

D117-0010 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D117-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0010?
Check Price and Availability of D117-0010, 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 D117-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0010
  • 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 D117-0010 available by request