E535-5200 Screening compound: 1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-cyclohexylpiperazine

E535-5200 Screening compound: 1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-cyclohexylpiperazine
E535-5200 Screening compound: 1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-5200
1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-cyclohexylpiperazine

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

E535-5200

Molecular Formula

C23H29ClN2O3S (C23 H29 ClN2 O3 S)

Compound Name

1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-cyclohexylpiperazine

IUPAC name

1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-cyclohexylpiperazine

SMILES

O=C(c1ccc(CS(Cc(cc2)ccc2Cl)=O)o1)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C23H31ClN2O3S/c24-19-8-6-18(7-9-19)16-30(28)17-21-10-11-22(29-21)23(27)26-14-12-25(13-15-26)20-4-2-1-3-5-20/h6-11,20H,1-5,12-17,30H2

InChI Key

OBWXKODHNFKCNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-4.25

Polar Surface Area

42.594

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

E535-5200 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E535-5200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-5200?
Check Price and Availability of E535-5200, 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 E535-5200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-5200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-5200
  • 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 E535-5200 available by request