2944-0136 Screening compound: 9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentan]-7(5H)-one

2944-0136 Screening compound: 9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentan]-7(5H)-one
2944-0136 Screening compound: 9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentan]-7(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2944-0136
9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentan]-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

2944-0136

Molecular Formula

C18H18N2OS (C18 H18 N2 OS)

Compound Name

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

IUPAC name

15'-thia-12'17'-diazaspiro[cyclopentane-19'-tetracyclo[8.7.0.0^{27}.0^{1216}]heptadecane]-1'(10')2'4'6'16'-pentaen-11'-one

SMILES

O=C1N(CCS2)C2=NC2=C1C1(CCCC1)Cc1c2cccc1

InChI

InChI=1S/C18H18N2OS/c21-16-14-15(19-17-20(16)9-10-22-17)13-6-2-1-5-12(13)11-18(14)7-3-4-8-18/h1-2,5-6H,3-4,7-11H2

InChI Key

OFWNHNFQWLHYNS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.46

Polar Surface Area

26.501

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

2944-0136 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2944-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2944-0136?
Check Price and Availability of 2944-0136, 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 2944-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2944-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2944-0136
  • 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 2944-0136 available by request