2752-0153 Screening compound: 2-(benzylsulfanyl)-3-cyclohexyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

2752-0153 Screening compound: 2-(benzylsulfanyl)-3-cyclohexyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
2752-0153 Screening compound: 2-(benzylsulfanyl)-3-cyclohexyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2752-0153
2-(benzylsulfanyl)-3-cyclohexyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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

2752-0153

Molecular Formula

C30H34N2OS (C30 H34 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(C2CCCCC2)C(SCc2ccccc2)=NC2=C1C1(CCCCC1)Cc1c2cccc1

InChI

InChI=1S/C30H34N2OS/c33-28-26-27(25-17-9-8-14-23(25)20-30(26)18-10-3-11-19-30)31-29(32(28)24-15-6-2-7-16-24)34-21-22-12-4-1-5-13-22/h1,4-5,8-9,12-14,17,24H,2-3,6-7,10-11,15-16,18-21H2

InChI Key

BQXIPBZOPFUMOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00688823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.68

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

7.046

Distribution Coefficient, logD

7.046

Water Solubility, LogSw

-6.00

Polar Surface Area

24.771

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

2752-0153 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2752-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2752-0153?
Check Price and Availability of 2752-0153, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2752-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2752-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2752-0153
  • 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 2752-0153 available by request