G516-0147 Screening compound: 2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinazoline

G516-0147 Screening compound: 2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinazoline
G516-0147 Screening compound: 2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G516-0147
2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinazoline

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

G516-0147

Molecular Formula

C26H23F3N4O (C26 H23 F3 N4 O)

Compound Name

2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinazoline

IUPAC name

2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinazoline

SMILES

COc(cc1)ccc1-c1nc2ccccc2c(N(CC2)CCN2c2cccc(C(F)(F)F)c2)n1

InChI

InChI=1S/C26H23F3N4O/c1-34-21-11-9-18(10-12-21)24-30-23-8-3-2-7-22(23)25(31-24)33-15-13-32(14-16-33)20-6-4-5-19(17-20)26(27,28)29/h2-12,17H,13-16H2,1H3

InChI Key

NPXODGASLRTVFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.051

Distribution Coefficient, logD

6.609

Water Solubility, LogSw

-6.29

Polar Surface Area

32.443

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G516-0147 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G516-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G516-0147?
Check Price and Availability of G516-0147, 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 G516-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G516-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G516-0147
  • 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 G516-0147 available by request