4184-0107 Screening compound: 3-cyclohexyl-2-(ethylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

4184-0107 Screening compound: 3-cyclohexyl-2-(ethylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
4184-0107 Screening compound: 3-cyclohexyl-2-(ethylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4184-0107
3-cyclohexyl-2-(ethylsulfanyl)-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

4184-0107

Molecular Formula

C24H30N2OS (C24 H30 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CCSC(N1C2CCCCC2)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C24H30N2OS/c1-2-28-23-25-21-19-13-7-6-10-17(19)16-24(14-8-9-15-24)20(21)22(27)26(23)18-11-4-3-5-12-18/h6-7,10,13,18H,2-5,8-9,11-12,14-16H2,1H3

InChI Key

DQHGDLSXOZJFHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01175075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.871

Distribution Coefficient, logD

5.871

Water Solubility, LogSw

-5.36

Polar Surface Area

25.408

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

4184-0107 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4184-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4184-0107?
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What is the minimum amount of 4184-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4184-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4184-0107
  • 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 4184-0107 available by request