5914-0549 Screening compound: 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

5914-0549 Screening compound: 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
5914-0549 Screening compound: 3-(2-hydroxy-4-methylphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5914-0549
3-(2-hydroxy-4-methylphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

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

5914-0549

Molecular Formula

C28H31NO2 (C28 H31 NO2)

Compound Name

3-(2-hydroxy-4-methylphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

IUPAC name

3-(2-hydroxy-4-methylphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

SMILES

Cc1cc(O)c(C(CC(NCC2(CCCC2)c2ccccc2)=O)c2ccccc2)cc1

InChI

InChI=1S/C28H31NO2/c1-21-14-15-24(26(30)18-21)25(22-10-4-2-5-11-22)19-27(31)29-20-28(16-8-9-17-28)23-12-6-3-7-13-23/h2-7,10-15,18,25,30H,8-9,16-17,19-20H2,1H3,(H,29,31)/t25-/m0/s1

InChI Key

WYNZYAIDRJSWAL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03777242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-5.15

Polar Surface Area

41.001

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

5914-0549 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 5914-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5914-0549?
Check Price and Availability of 5914-0549, 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 5914-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5914-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5914-0549
  • 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 5914-0549 available by request