P580-0283 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one

P580-0283 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one
P580-0283 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazino]-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 P580-0283
6-{2-[4-(4-fluorophenyl)piperazino]-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

P580-0283

Molecular Formula

C21H21FN6O2S (C21 H21 FN6 O2 S)

Compound Name

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

IUPAC name

4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-511-dimethyl-10-thia-14812-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)5811-tetraen-2-one

SMILES

Cc1cc(N=C2SC(C)=NN2C2=O)c2n1CC(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C21H21FN6O2S/c1-13-11-17-19(20(30)28-21(23-17)31-14(2)24-28)27(13)12-18(29)26-9-7-25(8-10-26)16-5-3-15(22)4-6-16/h3-6,11H,7-10,12H2,1-2H3

InChI Key

BUHTXUJKNCOPLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.69

Polar Surface Area

58.190

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P580-0283 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 P580-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0283?
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What is the minimum amount of P580-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0283
  • 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 P580-0283 available by request