6809-0221 Screening compound: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-1,4-dihydropyrimidin-4-one

6809-0221 Screening compound: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-1,4-dihydropyrimidin-4-one
6809-0221 Screening compound: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-1,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6809-0221
2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-1,4-dihydropyrimidin-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

6809-0221

Molecular Formula

C22H21N5OS (C22 H21 N5 OS)

Compound Name

2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-1,4-dihydropyrimidin-4-one

IUPAC name

2-[(48-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-14-dihydropyrimidin-4-one

SMILES

Cc(cc1)ccc1SCC(NC(Nc1nc2c(C)cccc2c(C)n1)=N1)=CC1=O

InChI

InChI=1S/C22H21N5OS/c1-13-7-9-17(10-8-13)29-12-16-11-19(28)25-22(24-16)27-21-23-15(3)18-6-4-5-14(2)20(18)26-21/h4-11H,12H2,1-3H3,(H2,23,24,25,26,27,28)

InChI Key

UQPCRSYSSHTFIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04167667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-4.76

Polar Surface Area

65.460

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

6809-0221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleic Acid Ligands (8311 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6809-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6809-0221?
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What is the minimum amount of 6809-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6809-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6809-0221
  • 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 6809-0221 available by request