5340-1873 Screening compound: 1-{5-ACETYL-4-HYDROXY-2-[(4-METHOXYPHENYL)AMINO]-4-METHYL-6-PHENYLCYCLOHEX-1-EN-1-YL}ETHAN-1-ONE

5340-1873 Screening compound: 1-{5-ACETYL-4-HYDROXY-2-[(4-METHOXYPHENYL)AMINO]-4-METHYL-6-PHENYLCYCLOHEX-1-EN-1-YL}ETHAN-1-ONE
5340-1873 Screening compound: 1-{5-ACETYL-4-HYDROXY-2-[(4-METHOXYPHENYL)AMINO]-4-METHYL-6-PHENYLCYCLOHEX-1-EN-1-YL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-1873
1-{5-ACETYL-4-HYDROXY-2-[(4-METHOXYPHENYL)AMINO]-4-METHYL-6-PHENYLCYCLOHEX-1-EN-1-YL}ETHAN-1-ONE

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

5340-1873

Molecular Formula

C24H27NO4 (C24 H27 NO4)

Compound Name

1-{5-ACETYL-4-HYDROXY-2-[(4-METHOXYPHENYL)AMINO]-4-METHYL-6-PHENYLCYCLOHEX-1-EN-1-YL}ETHAN-1-ONE

IUPAC name

n/a

SMILES

CC(CC(Nc(cc1)ccc1OC)=C(C1c2ccccc2)C(C)=O)(C1C(C)=O)O

InChI

InChI=1S/C24H27NO4/c1-15(26)21-20(25-18-10-12-19(29-4)13-11-18)14-24(3,28)23(16(2)27)22(21)17-8-6-5-7-9-17/h5-13,22-23,25,28H,14H2,1-4H3

InChI Key

DIJKNMOLRVCFHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02160534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-3.58

Polar Surface Area

59.403

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

5340-1873 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5340-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-1873?
Check Price and Availability of 5340-1873, 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 5340-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-1873
  • 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 5340-1873 available by request