E535-2313 Screening compound: 1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}-4-cyclohexylpiperazine

E535-2313 Screening compound: 1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}-4-cyclohexylpiperazine
E535-2313 Screening compound: 1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-2313
1-{5-[(4-bromobenzenesulfinyl)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

E535-2313

Molecular Formula

C22H27BrN2O3S (C22 H27 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Br)=O)o1)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C22H29BrN2O3S/c23-17-6-9-20(10-7-17)29(27)16-19-8-11-21(28-19)22(26)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h6-11,18H,1-5,12-16,29H2

InChI Key

XGRORZDHDQFFGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.14

Polar Surface Area

42.962

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E535-2313 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E535-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-2313?
Check Price and Availability of E535-2313, 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 E535-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-2313
  • 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 E535-2313 available by request