8013-3623 Screening compound: 6,8-dichloro-2-methyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one

8013-3623 Screening compound: 6,8-dichloro-2-methyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
8013-3623 Screening compound: 6,8-dichloro-2-methyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3623
6,8-dichloro-2-methyl-3-[3-(trifluoromethyl)phenyl]-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

8013-3623

Molecular Formula

C16H9Cl2F3N2O (C16 H9 Cl2 F3 N2 O)

Compound Name

6,8-dichloro-2-methyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

68-dichloro-2-methyl-3-[3-(trifluoromethyl)phenyl]-34-dihydroquinazolin-4-one

SMILES

CC(N(c1cc(C(F)(F)F)ccc1)C(c1cc(Cl)c2)=O)=Nc1c2Cl

InChI

InChI=1S/C16H9Cl2F3N2O/c1-8-22-14-12(6-10(17)7-13(14)18)15(24)23(8)11-4-2-3-9(5-11)16(19,20)21/h2-7H,1H3

InChI Key

XQQIIACPVFUWBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03321570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.16

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

4.587

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.79

Polar Surface Area

21.522

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-3623 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8013-3623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3623?
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What is the minimum amount of 8013-3623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3623
  • 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 8013-3623 available by request