R052-2219 Screening compound: ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate

R052-2219 Screening compound: ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate
R052-2219 Screening compound: ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2219
ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]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

R052-2219

Molecular Formula

C14H21NO3 (C14 H21 NO3)

Compound Name

ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate

IUPAC name

ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC(C)C)N)=O

InChI

InChI=1S/C14H21NO3/c1-4-17-14(16)9-13(15)11-5-7-12(8-6-11)18-10(2)3/h5-8,10,13H,4,9,15H2,1-3H3/t13-/m0/s1

InChI Key

QDNYKOJFKVMHBU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00436340

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.193

Distribution Coefficient, logD

0.747

Water Solubility, LogSw

-1.80

Polar Surface Area

47.989

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

R052-2219 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with R052-2219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2219?
Check Price and Availability of R052-2219, 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 R052-2219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2219
  • 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 R052-2219 available by request