F388-0129 Screening compound: 3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-3,4-dihydroquinazolin-4-one

F388-0129 Screening compound: 3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-3,4-dihydroquinazolin-4-one
F388-0129 Screening compound: 3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F388-0129
3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-3,4-dihydroquinazolin-4-one

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

F388-0129

Molecular Formula

C22H21F3N4O2 (C22 H21 F3 N4 O2)

Compound Name

3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-34-dihydroquinazolin-4-one

SMILES

O=C(CCN(C=Nc1c2cccc1)C2=O)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C22H21F3N4O2/c23-22(24,25)16-4-3-5-17(14-16)27-10-12-28(13-11-27)20(30)8-9-29-15-26-19-7-2-1-6-18(19)21(29)31/h1-7,14-15H,8-13H2

InChI Key

UDKCMRHZQYKGEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06780326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.86

Polar Surface Area

45.970

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F388-0129 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F388-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F388-0129?
Check Price and Availability of F388-0129, 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 F388-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F388-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F388-0129
  • 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 F388-0129 available by request