1215-0009 Screening compound: 3-[3-(trifluoromethyl)phenyl]-2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydroquinazolin-4-one

1215-0009 Screening compound: 3-[3-(trifluoromethyl)phenyl]-2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydroquinazolin-4-one
1215-0009 Screening compound: 3-[3-(trifluoromethyl)phenyl]-2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1215-0009
3-[3-(trifluoromethyl)phenyl]-2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-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

1215-0009

Molecular Formula

C24H14F6N2O (C24 H14 F6 N2 O)

Compound Name

3-[3-(trifluoromethyl)phenyl]-2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-[3-(trifluoromethyl)phenyl]-2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-34-dihydroquinazolin-4-one

SMILES

O=C(c(cccc1)c1N=C1/C=C/c2ccc(C(F)(F)F)cc2)N1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C24H14F6N2O/c25-23(26,27)16-11-8-15(9-12-16)10-13-21-31-20-7-2-1-6-19(20)22(33)32(21)18-5-3-4-17(14-18)24(28,29)30/h1-14H

InChI Key

SPQUAWUJLCEKCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.817

Distribution Coefficient, logD

5.816

Water Solubility, LogSw

-6.18

Polar Surface Area

24.594

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1215-0009 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1215-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1215-0009?
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What is the minimum amount of 1215-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1215-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1215-0009
  • 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 1215-0009 available by request