3063-0158 Screening compound: ethyl 3-phenyl-2-propanamido-3-(propanoyloxy)propanoate

3063-0158 Screening compound: ethyl 3-phenyl-2-propanamido-3-(propanoyloxy)propanoate
3063-0158 Screening compound: ethyl 3-phenyl-2-propanamido-3-(propanoyloxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3063-0158
ethyl 3-phenyl-2-propanamido-3-(propanoyloxy)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

3063-0158

Molecular Formula

C17H23NO5 (C17 H23 NO5)

Compound Name

ethyl 3-phenyl-2-propanamido-3-(propanoyloxy)propanoate

IUPAC name

ethyl 3-phenyl-2-propanamido-3-(propanoyloxy)propanoate

SMILES

CCC(NC(C(c1ccccc1)OC(CC)=O)C(OCC)=O)=O

InChI

InChI=1S/C17H23NO5/c1-4-13(19)18-15(17(21)22-6-3)16(23-14(20)5-2)12-10-8-7-9-11-12/h7-11,15-16H,4-6H2,1-3H3,(H,18,19)

InChI Key

XILBIJNJFDPPND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01027110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.65

Polar Surface Area

64.626

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

3063-0158 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3063-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3063-0158?
Check Price and Availability of 3063-0158, 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 3063-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3063-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3063-0158
  • 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 3063-0158 available by request