P580-0583 Screening compound: 6-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one

P580-0583 Screening compound: 6-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one
P580-0583 Screening compound: 6-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P580-0583
6-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-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

P580-0583

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

6-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one

IUPAC name

n/a

SMILES

Cc1cc(N=C2SC(C)=NN2C2=O)c2n1CC(N(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C20H19N5O2S/c1-12-10-15-18(19(27)25-20(21-15)28-13(2)22-25)24(12)11-17(26)23-9-5-7-14-6-3-4-8-16(14)23/h3-4,6,8,10H,5,7,9,11H2,1-2H3

InChI Key

IWGIHTJGPMVBRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.591

Water Solubility, LogSw

-2.92

Polar Surface Area

53.595

Acid Dissociation Constant (pKa)

20.32

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P580-0583 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P580-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0583?
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What is the minimum amount of P580-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0583
  • 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 P580-0583 available by request