R052-2260 Screening compound: ethyl 3-amino-3-(4-methylphenyl)propanoate

R052-2260 Screening compound: ethyl 3-amino-3-(4-methylphenyl)propanoate
R052-2260 Screening compound: ethyl 3-amino-3-(4-methylphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2260
ethyl 3-amino-3-(4-methylphenyl)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

R052-2260

Molecular Formula

C12H17NO2 (C12 H17 NO2)

Compound Name

ethyl 3-amino-3-(4-methylphenyl)propanoate

IUPAC name

ethyl 3-amino-3-(4-methylphenyl)propanoate

SMILES

CCOC(CC(c1ccc(C)cc1)N)=O

InChI

InChI=1S/C12H17NO2/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-7,11H,3,8,13H2,1-2H3/t11-/m0/s1

InChI Key

JOQNRQTYBXMXQY-NSHDSACASA-N

MDL Number (MFCD)

MFCD02110514

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

207.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.949

Distribution Coefficient, logD

-0.142

Water Solubility, LogSw

-1.55

Polar Surface Area

41.186

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

R052-2260 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with R052-2260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2260?
Check Price and Availability of R052-2260, 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 R052-2260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2260
  • 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 R052-2260 available by request