P580-0526 Screening compound: N~1~-[4-(acetylamino)phenyl]-2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetamide

P580-0526 Screening compound: N~1~-[4-(acetylamino)phenyl]-2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetamide
P580-0526 Screening compound: N~1~-[4-(acetylamino)phenyl]-2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P580-0526
N~1~-[4-(acetylamino)phenyl]-2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]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

P580-0526

Molecular Formula

C19H18N6O3S (C19 H18 N6 O3 S)

Compound Name

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

SMILES

CC(Nc(cc1)ccc1NC(Cn(c(C)c1)c2c1N=C1SC(C)=NN1C2=O)=O)=O

InChI

InChI=1S/C19H18N6O3S/c1-10-8-15-17(18(28)25-19(22-15)29-12(3)23-25)24(10)9-16(27)21-14-6-4-13(5-7-14)20-11(2)26/h4-8H,9H2,1-3H3,(H,20,26)(H,21,27)

InChI Key

MFRTYQQPZIRXLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-2.58

Polar Surface Area

84.949

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P580-0526 in Drug Discovery

Included in Screening Libraries

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 P580-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0526?
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What is the minimum amount of P580-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0526
  • 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 P580-0526 available by request