R052-1812 Screening compound: 3-amino-3-(4-methoxyphenyl)propanoic acid

R052-1812 Screening compound: 3-amino-3-(4-methoxyphenyl)propanoic acid
R052-1812 Screening compound: 3-amino-3-(4-methoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1812
3-amino-3-(4-methoxyphenyl)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

R052-1812

Molecular Formula

C10H13NO3 (C10 H13 NO3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(CC(O)=O)N)cc1

InChI

InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

InChI Key

NYTANCDDCQVQHG-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00187209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.821

Distribution Coefficient, logD

-0.821

Water Solubility, LogSw

-1.17

Polar Surface Area

56.955

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

R052-1812 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

STING Agonist Library (5895 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with R052-1812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1812?
Check Price and Availability of R052-1812, 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 R052-1812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1812
  • 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 R052-1812 available by request