R052-2123 Screening compound: 3-amino-3-(3,4,5-trimethoxyphenyl)propanoic acid

R052-2123 Screening compound: 3-amino-3-(3,4,5-trimethoxyphenyl)propanoic acid
R052-2123 Screening compound: 3-amino-3-(3,4,5-trimethoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2123
3-amino-3-(3,4,5-trimethoxyphenyl)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

R052-2123

Molecular Formula

C12H17NO5 (C12 H17 NO5)

Compound Name

3-amino-3-(3,4,5-trimethoxyphenyl)propanoic acid

IUPAC name

3-amino-3-(345-trimethoxyphenyl)propanoic acid

SMILES

COc1cc(C(CC(O)=O)N)cc(OC)c1OC

InChI

InChI=1S/C12H17NO5/c1-16-9-4-7(8(13)6-11(14)15)5-10(17-2)12(9)18-3/h4-5,8H,6,13H2,1-3H3,(H,14,15)/t8-/m0/s1

InChI Key

UMIWUEOAUPOOEJ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD01871316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.034

Distribution Coefficient, logD

-1.034

Water Solubility, LogSw

-0.50

Polar Surface Area

72.389

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

R052-2123 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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:
  • Nervous system
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with R052-2123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2123?
Check Price and Availability of R052-2123, 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 R052-2123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2123
  • 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 R052-2123 available by request