Y040-8673 Screening compound: 3-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl)-3,4-dihydroquinazolin-4-one

Y040-8673 Screening compound: 3-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl)-3,4-dihydroquinazolin-4-one
Y040-8673 Screening compound: 3-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8673
3-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl)-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

Y040-8673

Molecular Formula

C22H21F3N4O2 (C22 H21 F3 N4 O2)

Compound Name

3-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-[(2S)-1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl]-34-dihydroquinazolin-4-one

SMILES

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

InChI

InChI=1S/C22H21F3N4O2/c1-15(29-14-26-19-8-3-2-7-18(19)21(29)31)20(30)28-11-9-27(10-12-28)17-6-4-5-16(13-17)22(23,24)25/h2-8,13-15H,9-12H2,1H3/t15-/m0/s1

InChI Key

NBGCWIUSRLOIBJ-HNNXBMFYSA-N

MDL Number (MFCD)

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.93

Polar Surface Area

46.026

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with Y040-8673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8673?
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What is the minimum amount of Y040-8673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8673
  • 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 Y040-8673 available by request