C191-0165 Screening compound: 6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0165 Screening compound: 6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0165 Screening compound: 6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0165
6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C191-0165

Molecular Formula

C25H27F3N4O5 (C25 H27 F3 N4 O5)

Compound Name

6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2CCCC(N(CC3)CCN3c3cccc(C(F)(F)F)c3)=O)=O)c1NC2=O

InChI

InChI=1S/C25H27F3N4O5/c1-36-20-14-18-19(15-21(20)37-2)29-24(35)32(23(18)34)8-4-7-22(33)31-11-9-30(10-12-31)17-6-3-5-16(13-17)25(26,27)28/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,29,35)

InChI Key

ZNTUNNSNDOERHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-3.34

Polar Surface Area

75.372

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C191-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C191-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0165?
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What is the minimum amount of C191-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0165
  • 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 C191-0165 available by request