P580-0485 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3-ethylphenyl)acetamide

P580-0485 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3-ethylphenyl)acetamide
P580-0485 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P580-0485
2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3-ethylphenyl)acetamide

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

P580-0485

Molecular Formula

C19H19N5O2S (C19 H19 N5 O2 S)

Compound Name

2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3-ethylphenyl)acetamide

IUPAC name

2-{511-dimethyl-2-oxo-10-thia-14812-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)5811-tetraen-4-yl}-N-(3-ethylphenyl)acetamide

SMILES

CCc1cccc(NC(Cn(c(C)c2)c3c2N=C2SC(C)=NN2C3=O)=O)c1

InChI

InChI=1S/C19H19N5O2S/c1-4-13-6-5-7-14(9-13)20-16(25)10-23-11(2)8-15-17(23)18(26)24-19(21-15)27-12(3)22-24/h5-9H,4,10H2,1-3H3,(H,20,25)

InChI Key

QFQKCXZNQAHZMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.54

Polar Surface Area

61.687

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P580-0485 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P580-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0485?
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What is the minimum amount of P580-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0485
  • 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 P580-0485 available by request