C599-0733 Screening compound: 1-(2-fluorophenyl)-4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

C599-0733 Screening compound: 1-(2-fluorophenyl)-4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
C599-0733 Screening compound: 1-(2-fluorophenyl)-4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0733
1-(2-fluorophenyl)-4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}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

C599-0733

Molecular Formula

C20H21FN4O (C20 H21 FN4 O)

Compound Name

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

IUPAC name

1-(2-fluorophenyl)-4-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}piperazine

SMILES

Cc1cccc(-c2noc(CN(CC3)CCN3c(cccc3)c3F)n2)c1

InChI

InChI=1S/C20H21FN4O/c1-15-5-4-6-16(13-15)20-22-19(26-23-20)14-24-9-11-25(12-10-24)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3

InChI Key

JQKBQBFTXBRYGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07087658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-4.34

Polar Surface Area

38.273

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C599-0733 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C599-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0733?
Check Price and Availability of C599-0733, 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 C599-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0733
  • 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 C599-0733 available by request