8003-4657 Screening compound: 3-amino-3-(3,4-dimethoxyphenyl)propanoic acid

8003-4657 Screening compound: 3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
8003-4657 Screening compound: 3-amino-3-(3,4-dimethoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4657
3-amino-3-(3,4-dimethoxyphenyl)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

8003-4657

Molecular Formula

C11H15NO4 (C11 H15 NO4)

Compound Name

3-amino-3-(3,4-dimethoxyphenyl)propanoic acid

IUPAC name

3-amino-3-(34-dimethoxyphenyl)propanoic acid

SMILES

COc(ccc(C(CC(O)=O)N)c1)c1OC

InChI

InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m0/s1

InChI Key

FGCXSFRGPCUBPW-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00735172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.102

Distribution Coefficient, logD

-1.102

Water Solubility, LogSw

-1.39

Polar Surface Area

64.672

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8003-4657 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 8003-4657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4657?
Check Price and Availability of 8003-4657, 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 8003-4657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4657
  • 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 8003-4657 available by request