D420-2012 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinoline

D420-2012 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinoline
D420-2012 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D420-2012
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinoline

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

D420-2012

Molecular Formula

C23H22FN5O (C23 H22 FN5 O)

Compound Name

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinoline

IUPAC name

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-3-(5-methyl-124-oxadiazol-3-yl)quinoline

SMILES

Cc1nc(-c2cc3cc(C)ccc3nc2N(CC2)CCN2c(cc2)ccc2F)no1

InChI

InChI=1S/C23H22FN5O/c1-15-3-8-21-17(13-15)14-20(22-25-16(2)30-27-22)23(26-21)29-11-9-28(10-12-29)19-6-4-18(24)5-7-19/h3-8,13-14H,9-12H2,1-2H3

InChI Key

QCTBBPSYRZMABB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-5.86

Polar Surface Area

46.120

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D420-2012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D420-2012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D420-2012?
Check Price and Availability of D420-2012, 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 D420-2012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D420-2012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D420-2012
  • 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 D420-2012 available by request