E613-0821 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

E613-0821 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one
E613-0821 Screening compound: 1-[4-(3-chlorophenyl)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 E613-0821
1-[4-(3-chlorophenyl)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

E613-0821

Molecular Formula

C20H20ClN3O3S (C20 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COCc1noc(-c2cccs2)c1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C20H20ClN3O3S/c21-15-3-1-4-17(11-15)23-6-8-24(9-7-23)20(25)14-26-13-16-12-18(27-22-16)19-5-2-10-28-19/h1-5,10-12H,6-9,13-14H2

InChI Key

IFOYREJIXJCEHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

3.521

Water Solubility, LogSw

-3.70

Polar Surface Area

51.103

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E613-0821 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E613-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0821?
Check Price and Availability of E613-0821, 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 E613-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0821
  • 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 E613-0821 available by request