D325-0548 Screening compound: ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio]acetate

D325-0548 Screening compound: ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio]acetate
D325-0548 Screening compound: ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0548
ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio]acetate

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

D325-0548

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio]acetate

IUPAC name

ethyl 2-{11'-oxo-12'14'15'17'-tetraazaspiro[cyclopentane-19'-tetracyclo[8.7.0.0^{27}.0^{1216}]heptadecane]-1'(10')2'(7')3'5'13'16'-hexaen-13'-ylsulfanyl}acetate

SMILES

CCOC(CSC(N12)=NNC2=NC(c2c(CC34CCCC4)cccc2)=C3C1=O)=O

InChI

InChI=1S/C21H22N4O3S/c1-2-28-15(26)12-29-20-24-23-19-22-17-14-8-4-3-7-13(14)11-21(9-5-6-10-21)16(17)18(27)25(19)20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,22,23)

InChI Key

GVNCPTZNKPFICS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.466

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.62

Polar Surface Area

72.104

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D325-0548 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D325-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0548?
Check Price and Availability of D325-0548, 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 D325-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0548
  • 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 D325-0548 available by request