P580-0499 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide

P580-0499 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide
P580-0499 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P580-0499
2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(3,4,5-trimethoxyphenyl)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

P580-0499

Molecular Formula

C20H21N5O5S (C20 H21 N5 O5 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~-(3,4,5-trimethoxyphenyl)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-(345-trimethoxyphenyl)acetamide

SMILES

Cc1cc(N=C2SC(C)=NN2C2=O)c2n1CC(Nc(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C20H21N5O5S/c1-10-6-13-17(19(27)25-20(22-13)31-11(2)23-25)24(10)9-16(26)21-12-7-14(28-3)18(30-5)15(8-12)29-4/h6-8H,9H2,1-5H3,(H,21,26)

InChI Key

HOUPUUBDIMKCBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.71

Polar Surface Area

84.665

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P580-0499 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 P580-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0499?
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What is the minimum amount of P580-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0499
  • 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 P580-0499 available by request