L498-0562 Screening compound: 1-ethyl-4-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}piperazine

L498-0562 Screening compound: 1-ethyl-4-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}piperazine
L498-0562 Screening compound: 1-ethyl-4-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L498-0562
1-ethyl-4-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}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

L498-0562

Molecular Formula

C21H21FN4O2 (C21 H21 FN4 O2)

Compound Name

1-ethyl-4-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}piperazine

IUPAC name

1-ethyl-4-{4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]benzoyl}piperazine

SMILES

CCN(CC1)CCN1C(c(cc1)ccc1-c1nc(-c(cc2)ccc2F)no1)=O

InChI

InChI=1S/C21H21FN4O2/c1-2-25-11-13-26(14-12-25)21(27)17-5-3-16(4-6-17)20-23-19(24-28-20)15-7-9-18(22)10-8-15/h3-10H,2,11-14H2,1H3

InChI Key

DDOGAUQCJBQPSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.28

Polar Surface Area

51.829

Acid Dissociation Constant (pKa)

28.84

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L498-0562 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L498-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L498-0562?
Check Price and Availability of L498-0562, 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 L498-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L498-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L498-0562
  • 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 L498-0562 available by request