3472-2069 Screening compound: 3-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}carbamoyl)propanoic acid

3472-2069 Screening compound: 3-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}carbamoyl)propanoic acid
3472-2069 Screening compound: 3-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3472-2069
3-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}carbamoyl)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

3472-2069

Molecular Formula

C18H25NO5 (C18 H25 NO5)

Compound Name

3-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}carbamoyl)propanoic acid

IUPAC name

3-({[1-(34-dimethoxyphenyl)cyclopentyl]methyl}carbamoyl)propanoic acid

SMILES

COc(ccc(C1(CNC(CCC(O)=O)=O)CCCC1)c1)c1OC

InChI

InChI=1S/C18H25NO5/c1-23-14-6-5-13(11-15(14)24-2)18(9-3-4-10-18)12-19-16(20)7-8-17(21)22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,20)(H,21,22)

InChI Key

XGAFAVGNPVXMPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.662

Distribution Coefficient, logD

-1.287

Water Solubility, LogSw

-1.94

Polar Surface Area

68.641

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

3472-2069 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3472-2069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3472-2069?
Check Price and Availability of 3472-2069, 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 3472-2069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3472-2069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3472-2069
  • 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 3472-2069 available by request