6705-0062 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(phenylformamido)propanoic acid

6705-0062 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(phenylformamido)propanoic acid
6705-0062 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(phenylformamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6705-0062
3-(3,4-dimethoxyphenyl)-3-(phenylformamido)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

6705-0062

Molecular Formula

C18H19NO5 (C18 H19 NO5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(CC(O)=O)NC(c1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C18H19NO5/c1-23-15-9-8-13(10-16(15)24-2)14(11-17(20)21)19-18(22)12-6-4-3-5-7-12/h3-10,14H,11H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1

InChI Key

JTFGTWDFDRRWDT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01366698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.771

Distribution Coefficient, logD

-0.867

Water Solubility, LogSw

-2.21

Polar Surface Area

67.927

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

6705-0062 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6705-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6705-0062?
Check Price and Availability of 6705-0062, 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 6705-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6705-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6705-0062
  • 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 6705-0062 available by request