4232-0041 Screening compound: 2-(benzylsulfanyl)-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

4232-0041 Screening compound: 2-(benzylsulfanyl)-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
4232-0041 Screening compound: 2-(benzylsulfanyl)-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4232-0041
2-(benzylsulfanyl)-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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

4232-0041

Molecular Formula

C30H28N2OS (C30 H28 N2 OS)

Compound Name

2-(benzylsulfanyl)-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

IUPAC name

2-(benzylsulfanyl)-3-(2-methylphenyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

Cc(cccc1)c1N1C(SCc2ccccc2)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C30H28N2OS/c1-21-11-5-8-16-25(21)32-28(33)26-27(31-29(32)34-20-22-12-3-2-4-13-22)24-15-7-6-14-23(24)19-30(26)17-9-10-18-30/h2-8,11-16H,9-10,17-20H2,1H3

InChI Key

RDADJCDSLFULBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02763678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.528

Distribution Coefficient, logD

6.498

Water Solubility, LogSw

-5.67

Polar Surface Area

25.003

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

4232-0041 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4232-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4232-0041?
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What is the minimum amount of 4232-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4232-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4232-0041
  • 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 4232-0041 available by request