4184-0085 Screening compound: 3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

4184-0085 Screening compound: 3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
4184-0085 Screening compound: 3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4184-0085
3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-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

4184-0085

Molecular Formula

C22H24N2OS (C22 H24 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

C=CCN1C(SCC=C)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C22H24N2OS/c1-3-13-24-20(25)18-19(23-21(24)26-14-4-2)17-10-6-5-9-16(17)15-22(18)11-7-8-12-22/h3-6,9-10H,1-2,7-8,11-15H2

InChI Key

FFCLSEAAZMTRLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01175053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-4.85

Polar Surface Area

26.437

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4184-0085 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4184-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4184-0085?
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What is the minimum amount of 4184-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4184-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4184-0085
  • 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 4184-0085 available by request