P580-0524 Screening compound: methyl 4-({2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetyl}amino)benzoate

P580-0524 Screening compound: methyl 4-({2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetyl}amino)benzoate
P580-0524 Screening compound: methyl 4-({2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P580-0524
methyl 4-({2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetyl}amino)benzoate

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

P580-0524

Molecular Formula

C19H17N5O4S (C19 H17 N5 O4 S)

Compound Name

methyl 4-({2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]acetyl}amino)benzoate

IUPAC name

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

SMILES

Cc1cc(N=C2SC(C)=NN2C2=O)c2n1CC(Nc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C19H17N5O4S/c1-10-8-14-16(17(26)24-19(21-14)29-11(2)22-24)23(10)9-15(25)20-13-6-4-12(5-7-13)18(27)28-3/h4-8H,9H2,1-3H3,(H,20,25)

InChI Key

CWEITFQFRFXQEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-3.04

Polar Surface Area

82.861

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P580-0524 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P580-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0524?
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What is the minimum amount of P580-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0524
  • 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 P580-0524 available by request