8011-5927 Screening compound: 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-3,4-dihydroquinazolin-4-one

8011-5927 Screening compound: 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-3,4-dihydroquinazolin-4-one
8011-5927 Screening compound: 3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5927
3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-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

8011-5927

Molecular Formula

C16H10ClF3N2O (C16 H10 ClF3 N2 O)

Compound Name

3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-3,4-dihydroquinazolin-4-one

IUPAC name

3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-34-dihydroquinazolin-4-one

SMILES

CC(N1c(cc(C(F)(F)F)cc2)c2Cl)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H10ClF3N2O/c1-9-21-13-5-3-2-4-11(13)15(23)22(9)14-8-10(16(18,19)20)6-7-12(14)17/h2-8H,1H3

InChI Key

NZDFJFDLBZMFJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-4.03

Polar Surface Area

23.473

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-5927 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8011-5927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5927?
Check Price and Availability of 8011-5927, 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 8011-5927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5927
  • 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 8011-5927 available by request