4677-0025 Screening compound: 1-(3,4-dimethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethan-1-one

4677-0025 Screening compound: 1-(3,4-dimethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethan-1-one
4677-0025 Screening compound: 1-(3,4-dimethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4677-0025
1-(3,4-dimethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethan-1-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

4677-0025

Molecular Formula

C24H24N2OS (C24 H24 N2 OS)

Compound Name

1-(3,4-dimethylphenyl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethan-1-one

IUPAC name

1-(34-dimethylphenyl)-2-[(2-phenyl-5678-tetrahydroquinazolin-4-yl)sulfanyl]ethan-1-one

SMILES

Cc(cc1)c(C)cc1C(CSc1nc(-c2ccccc2)nc2c1CCCC2)=O

InChI

InChI=1S/C24H24N2OS/c1-16-12-13-19(14-17(16)2)22(27)15-28-24-20-10-6-7-11-21(20)25-23(26-24)18-8-4-3-5-9-18/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3

InChI Key

BOKKZNJVNYFUQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03131217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.147

Distribution Coefficient, logD

7.115

Water Solubility, LogSw

-5.59

Polar Surface Area

33.066

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

4677-0025 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4677-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4677-0025?
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What is the minimum amount of 4677-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4677-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4677-0025
  • 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 4677-0025 available by request