E535-0329 Screening compound: [4-(1,3-benzodioxol-5-ylmethyl)piperazino](5-{[(3-methylphenyl)sulfinyl]methyl}-2-furyl)methanone

E535-0329 Screening compound: [4-(1,3-benzodioxol-5-ylmethyl)piperazino](5-{[(3-methylphenyl)sulfinyl]methyl}-2-furyl)methanone
E535-0329 Screening compound: [4-(1,3-benzodioxol-5-ylmethyl)piperazino](5-{[(3-methylphenyl)sulfinyl]methyl}-2-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-0329
[4-(1,3-benzodioxol-5-ylmethyl)piperazino](5-{[(3-methylphenyl)sulfinyl]methyl}-2-furyl)methanone

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

E535-0329

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

[4-(1,3-benzodioxol-5-ylmethyl)piperazino](5-{[(3-methylphenyl)sulfinyl]methyl}-2-furyl)methanone

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-{5-[(3-methylbenzenesulfinyl)methyl]furan-2-carbonyl}piperazine

SMILES

Cc1cccc(S(Cc2ccc(C(N3CCN(Cc(cc4)cc5c4OCO5)CC3)=O)o2)=O)c1

InChI

InChI=1S/C25H28N2O5S/c1-18-3-2-4-21(13-18)33(29)16-20-6-8-23(32-20)25(28)27-11-9-26(10-12-27)15-19-5-7-22-24(14-19)31-17-30-22/h2-8,13-14H,9-12,15-17,33H2,1H3

InChI Key

NICNIPKJZKARAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.65

Polar Surface Area

60.525

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with E535-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-0329?
Check Price and Availability of E535-0329, 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 E535-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-0329
  • 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 E535-0329 available by request