4222-0240 Screening compound: 10-phenyl-9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclohexan]-7(5H)-one

4222-0240 Screening compound: 10-phenyl-9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclohexan]-7(5H)-one
4222-0240 Screening compound: 10-phenyl-9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclohexan]-7(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4222-0240
10-phenyl-9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclohexan]-7(5H)-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

4222-0240

Molecular Formula

C25H24N2OS (C25 H24 N2 OS)

Compound Name

10-phenyl-9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclohexan]-7(5H)-one

IUPAC name

14'-phenyl-15'-thia-12'17'-diazaspiro[cyclohexane-19'-tetracyclo[8.7.0.0^{27}.0^{1216}]heptadecane]-1'(10')2'(7')3'5'16'-pentaen-11'-one

SMILES

O=C1N(CC(c2ccccc2)S2)C2=NC2=C1C1(CCCCC1)Cc1c2cccc1

InChI

InChI=1S/C25H24N2OS/c28-23-21-22(26-24-27(23)16-20(29-24)17-9-3-1-4-10-17)19-12-6-5-11-18(19)15-25(21)13-7-2-8-14-25/h1,3-6,9-12,20H,2,7-8,13-16H2/t20-/m0/s1

InChI Key

WTDIQRVDYMXLNQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01959524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.739

Distribution Coefficient, logD

5.739

Water Solubility, LogSw

-5.69

Polar Surface Area

25.797

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

4222-0240 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4222-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4222-0240?
Check Price and Availability of 4222-0240, 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 4222-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4222-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4222-0240
  • 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 4222-0240 available by request