4146-0576 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,3-diphenylpropanamide

4146-0576 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,3-diphenylpropanamide
4146-0576 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,3-diphenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4146-0576
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,3-diphenylpropanamide

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

4146-0576

Molecular Formula

C29H33NO3 (C29 H33 NO3)

Compound Name

N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,3-diphenylpropanamide

IUPAC name

N-{[1-(34-dimethoxyphenyl)cyclopentyl]methyl}-33-diphenylpropanamide

SMILES

COc(ccc(C1(CNC(CC(c2ccccc2)c2ccccc2)=O)CCCC1)c1)c1OC

InChI

InChI=1S/C29H33NO3/c1-32-26-16-15-24(19-27(26)33-2)29(17-9-10-18-29)21-30-28(31)20-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-16,19,25H,9-10,17-18,20-21H2,1-2H3,(H,30,31)

InChI Key

CDCZIIWPXSWXNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01466299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.56

Polar Surface Area

39.714

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

4146-0576 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4146-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4146-0576?
Check Price and Availability of 4146-0576, 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 4146-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4146-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4146-0576
  • 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 4146-0576 available by request