5291-0543 Screening compound: 2-[4-(dimethylamino)phenyl]-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

5291-0543 Screening compound: 2-[4-(dimethylamino)phenyl]-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate
5291-0543 Screening compound: 2-[4-(dimethylamino)phenyl]-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5291-0543
2-[4-(dimethylamino)phenyl]-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

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

5291-0543

Molecular Formula

C27H34N2O4 (C27 H34 N2 O4)

Compound Name

2-[4-(dimethylamino)phenyl]-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

IUPAC name

2-[4-(dimethylamino)phenyl]-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

SMILES

CC(CC1)CCC1C(NC(Cc1ccccc1)C(OCC(c(cc1)ccc1N(C)C)=O)=O)=O

InChI

InChI=1S/C27H34N2O4/c1-19-9-11-22(12-10-19)26(31)28-24(17-20-7-5-4-6-8-20)27(32)33-18-25(30)21-13-15-23(16-14-21)29(2)3/h4-8,13-16,19,22,24H,9-12,17-18H2,1-3H3,(H,28,31)/t19?,22?,24-/m0/s1

InChI Key

MPGGSBUQUAPNMW-HTIOENIKSA-N

MDL Number (MFCD)

MFCD03448750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.62

Polar Surface Area

61.384

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

5291-0543 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 5291-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5291-0543?
Check Price and Availability of 5291-0543, 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 5291-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5291-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5291-0543
  • 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 5291-0543 available by request