E613-0826 Screening compound: 2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

E613-0826 Screening compound: 2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
E613-0826 Screening compound: 2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0826
2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}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

E613-0826

Molecular Formula

C21H20F3N3O3S (C21 H20 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COCc1noc(-c2cccs2)c1)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)15-3-1-4-17(11-15)26-6-8-27(9-7-26)20(28)14-29-13-16-12-18(30-25-16)19-5-2-10-31-19/h1-5,10-12H,6-9,13-14H2

InChI Key

NXUDYVKCISGBQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.08

Polar Surface Area

51.103

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E613-0826 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E613-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0826?
Check Price and Availability of E613-0826, 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 E613-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0826
  • 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 E613-0826 available by request