8019-1433 Screening compound: 1-(3-chlorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-dione

8019-1433 Screening compound: 1-(3-chlorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-dione
8019-1433 Screening compound: 1-(3-chlorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1433
1-(3-chlorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-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

8019-1433

Molecular Formula

C18H15ClF6N2O2 (C18 H15 ClF6 N2 O2)

Compound Name

1-(3-chlorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-dione

IUPAC name

1-(3-chlorophenyl)-77-dimethyl-44-bis(trifluoromethyl)-12345678-octahydroquinazoline-25-dione

SMILES

CC(C)(C1)CC(N(c2cccc(Cl)c2)C(NC2(C(F)(F)F)C(F)(F)F)=O)=C2C1=O

InChI

InChI=1S/C18H15ClF6N2O2/c1-15(2)7-11-13(12(28)8-15)16(17(20,21)22,18(23,24)25)26-14(29)27(11)10-5-3-4-9(19)6-10/h3-6H,7-8H2,1-2H3,(H,26,29)

InChI Key

JPLIYAATNCPMGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04182844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

-3.329

Water Solubility, LogSw

-4.82

Polar Surface Area

40.938

Acid Dissociation Constant (pKa)

-0.03

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8019-1433 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-1433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1433?
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What is the minimum amount of 8019-1433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1433
  • 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 8019-1433 available by request