R052-2217 Screening compound: 3-amino-3-(4-butoxyphenyl)propanoic acid

R052-2217 Screening compound: 3-amino-3-(4-butoxyphenyl)propanoic acid
R052-2217 Screening compound: 3-amino-3-(4-butoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2217
3-amino-3-(4-butoxyphenyl)propanoic 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

R052-2217

Molecular Formula

C13H19NO3 (C13 H19 NO3)

Compound Name

3-amino-3-(4-butoxyphenyl)propanoic acid

IUPAC name

3-amino-3-(4-butoxyphenyl)propanoic acid

SMILES

CCCCOc1ccc(C(CC(O)=O)N)cc1

InChI

InChI=1S/C13H19NO3/c1-2-3-8-17-11-6-4-10(5-7-11)12(14)9-13(15)16/h4-7,12H,2-3,8-9,14H2,1H3,(H,15,16)/t12-/m0/s1

InChI Key

MBSPCPOKMWFVAG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00749506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.629

Distribution Coefficient, logD

0.629

Water Solubility, LogSw

-1.36

Polar Surface Area

56.829

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

R052-2217 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with R052-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2217?
Check Price and Availability of R052-2217, 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 R052-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2217
  • 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 R052-2217 available by request