8012-4453 Screening compound: 3-(2-methoxyphenyl)-2-[(2-pyridylsulfanyl)methyl]-4(3H)-quinazolinone

8012-4453 Screening compound: 3-(2-methoxyphenyl)-2-[(2-pyridylsulfanyl)methyl]-4(3H)-quinazolinone
8012-4453 Screening compound: 3-(2-methoxyphenyl)-2-[(2-pyridylsulfanyl)methyl]-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4453
3-(2-methoxyphenyl)-2-[(2-pyridylsulfanyl)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

8012-4453

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

3-(2-methoxyphenyl)-2-[(2-pyridylsulfanyl)methyl]-4(3H)-quinazolinone

IUPAC name

3-(2-methoxyphenyl)-2-[(pyridin-2-ylsulfanyl)methyl]-34-dihydroquinazolin-4-one

SMILES

COc(cccc1)c1N(C(CSc1ncccc1)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C21H17N3O2S/c1-26-18-11-5-4-10-17(18)24-19(14-27-20-12-6-7-13-22-20)23-16-9-3-2-8-15(16)21(24)25/h2-13H,14H2,1H3

InChI Key

WKRIRIKNDXAZAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01207086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-3.28

Polar Surface Area

40.332

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with 8012-4453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4453?
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What is the minimum amount of 8012-4453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4453
  • 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 8012-4453 available by request