5408-1547 Screening compound: 1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

5408-1547 Screening compound: 1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
5408-1547 Screening compound: 1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1547
1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

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

5408-1547

Molecular Formula

C16H18F3N5O5 (C16 H18 F3 N5 O5)

Compound Name

1-{2-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{2-[(4-methoxy-125-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

SMILES

COc1nonc1OCCN(CC1)CCN1c(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C16H18F3N5O5/c1-27-14-15(21-29-20-14)28-9-8-22-4-6-23(7-5-22)12-3-2-11(16(17,18)19)10-13(12)24(25)26/h2-3,10H,4-9H2,1H3

InChI Key

PYXJQLAQBQQEME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872901

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

417.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.87

Polar Surface Area

92.084

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 5408-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1547?
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What is the minimum amount of 5408-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1547
  • 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 5408-1547 available by request