E613-0734 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

E613-0734 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one
E613-0734 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0734
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

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

E613-0734

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[5-(thiophen-2-yl)-12-oxazol-3-yl]methoxy}ethan-1-one

SMILES

O=C(COCc1noc(-c2cccs2)c1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C22H23N3O5S/c26-22(14-27-13-17-11-20(30-23-17)21-2-1-9-31-21)25-7-5-24(6-8-25)12-16-3-4-18-19(10-16)29-15-28-18/h1-4,9-11H,5-8,12-15H2

InChI Key

CAFRWBRVHXCKRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.78

Polar Surface Area

68.498

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with E613-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0734?
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What is the minimum amount of E613-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0734
  • 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 E613-0734 available by request