4184-0032 Screening compound: 3-phenyl-2-(prop-2-yn-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

4184-0032 Screening compound: 3-phenyl-2-(prop-2-yn-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
4184-0032 Screening compound: 3-phenyl-2-(prop-2-yn-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4184-0032
3-phenyl-2-(prop-2-yn-1-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

4184-0032

Molecular Formula

C26H24N2OS (C26 H24 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

C#CCSC(N1c2ccccc2)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C26H24N2OS/c1-2-17-30-25-27-23-21-14-8-7-11-19(21)18-26(15-9-4-10-16-26)22(23)24(29)28(25)20-12-5-3-6-13-20/h1,3,5-8,11-14H,4,9-10,15-18H2

InChI Key

JROPQUYGYHRNRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

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

5.447

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.61

Polar Surface Area

25.209

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4184-0032 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4184-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4184-0032?
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What is the minimum amount of 4184-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4184-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4184-0032
  • 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 4184-0032 available by request