Y044-6943 Screening compound: 3-(2-aminoethyl)-6-fluoro-2-methyl-4(3H)-quinazolinone

Y044-6943 Screening compound: 3-(2-aminoethyl)-6-fluoro-2-methyl-4(3H)-quinazolinone
Y044-6943 Screening compound: 3-(2-aminoethyl)-6-fluoro-2-methyl-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-6943
3-(2-aminoethyl)-6-fluoro-2-methyl-4(3H)-quinazolinone

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

Y044-6943

Molecular Formula

C11H12FN3O (C11 H12 FN3 O)

Compound Name

3-(2-aminoethyl)-6-fluoro-2-methyl-4(3H)-quinazolinone

IUPAC name

3-(2-aminoethyl)-6-fluoro-2-methyl-34-dihydroquinazolin-4-one

SMILES

CC(N1CCN)=Nc(ccc(F)c2)c2C1=O

InChI

InChI=1S/C11H12FN3O/c1-7-14-10-3-2-8(12)6-9(10)11(16)15(7)5-4-13/h2-3,6H,4-5,13H2,1H3

InChI Key

SBRANKIJPKUILJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

221.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.524

Distribution Coefficient, logD

-0.128

Water Solubility, LogSw

-2.03

Polar Surface Area

45.791

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y044-6943 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GABA Library (7115 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y044-6943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-6943?
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What is the minimum amount of Y044-6943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-6943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-6943
  • 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 Y044-6943 available by request