4222-0162 Screening compound: ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane]-10-carboxylate

4222-0162 Screening compound: ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane]-10-carboxylate
4222-0162 Screening compound: ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane]-10-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4222-0162
ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane]-10-carboxylate

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

4222-0162

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane]-10-carboxylate

IUPAC name

ethyl 11'-oxo-15'-thia-12'17'-diazaspiro[cyclopentane-19'-tetracyclo[8.7.0.0^{27}.0^{1216}]heptadecane]-1'(10')2'(7')3'5'16'-pentaene-14'-carboxylate

SMILES

CCOC(C(CN12)SC2=NC(c2c(CC34CCCC4)cccc2)=C3C1=O)=O

InChI

InChI=1S/C21H22N2O3S/c1-2-26-19(25)15-12-23-18(24)16-17(22-20(23)27-15)14-8-4-3-7-13(14)11-21(16)9-5-6-10-21/h3-4,7-8,15H,2,5-6,9-12H2,1H3/t15-/m0/s1

InChI Key

FPALGZOTQIOPFX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01557792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.85

Polar Surface Area

47.189

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

4222-0162 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4222-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4222-0162?
Check Price and Availability of 4222-0162, 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 4222-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4222-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4222-0162
  • 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 4222-0162 available by request