E535-4893 Screening compound: ethyl 4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine-1-carboxylate

E535-4893 Screening compound: ethyl 4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine-1-carboxylate
E535-4893 Screening compound: ethyl 4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-4893
ethyl 4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine-1-carboxylate

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

E535-4893

Molecular Formula

C21H26N2O5S (C21 H26 N2 O5 S)

Compound Name

ethyl 4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1ccc(CS(Cc2ccc(C)cc2)=O)o1)=O)=O

InChI

InChI=1S/C21H28N2O5S/c1-3-27-21(25)23-12-10-22(11-13-23)20(24)19-9-8-18(28-19)15-29(26)14-17-6-4-16(2)5-7-17/h4-9H,3,10-15,29H2,1-2H3

InChI Key

RMTJMDVNYUJQIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.55

Polar Surface Area

62.281

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E535-4893 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E535-4893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-4893?
Check Price and Availability of E535-4893, 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 E535-4893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-4893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-4893
  • 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 E535-4893 available by request