4232-0103 Screening compound: 3-(prop-2-en-1-yl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

4232-0103 Screening compound: 3-(prop-2-en-1-yl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
4232-0103 Screening compound: 3-(prop-2-en-1-yl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4232-0103
3-(prop-2-en-1-yl)-2-(propan-2-ylsulfanyl)-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

4232-0103

Molecular Formula

C23H28N2OS (C23 H28 N2 OS)

Compound Name

3-(prop-2-en-1-yl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

IUPAC name

3-(prop-2-en-1-yl)-2-(propan-2-ylsulfanyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

CC(C)SC(N1CC=C)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C23H28N2OS/c1-4-14-25-21(26)19-20(24-22(25)27-16(2)3)18-11-7-6-10-17(18)15-23(19)12-8-5-9-13-23/h4,6-7,10-11,16H,1,5,8-9,12-15H2,2-3H3

InChI Key

HRNBQGFNDQKUED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01807146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.55

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

5.557

Distribution Coefficient, logD

5.557

Water Solubility, LogSw

-5.22

Polar Surface Area

26.071

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

4232-0103 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4232-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4232-0103?
Check Price and Availability of 4232-0103, 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 4232-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4232-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4232-0103
  • 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 4232-0103 available by request