R052-2039 Screening compound: 3-amino-3-(4-hydroxyphenyl)propanoic acid

R052-2039 Screening compound: 3-amino-3-(4-hydroxyphenyl)propanoic acid
R052-2039 Screening compound: 3-amino-3-(4-hydroxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2039
3-amino-3-(4-hydroxyphenyl)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

R052-2039

Molecular Formula

C9H11NO3 (C9 H11 NO3)

Compound Name

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

IUPAC name

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

SMILES

NC(CC(O)=O)c(cc1)ccc1O

InChI

InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

InChI Key

JYPHNHPXFNEZBR-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00181810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

181.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-1.423

Distribution Coefficient, logD

-1.423

Water Solubility, LogSw

-1.28

Polar Surface Area

67.028

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

R052-2039 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 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
Structure:
  • Pool

References: we are preparing a list of scientific research reports with R052-2039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2039?
Check Price and Availability of R052-2039, 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 R052-2039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2039
  • 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 R052-2039 available by request