P422-0509 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

P422-0509 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
P422-0509 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P422-0509
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

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

P422-0509

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

3-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-4H5H6H7H-[12]thiazolo[43-d]pyrimidine-57-dione

SMILES

CC(C)N(C(c1nsc(C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)c1N1)=O)C1=O

InChI

InChI=1S/C21H25N5O3S/c1-12(2)26-19(27)17-16(22-21(26)29)18(30-23-17)20(28)25-9-7-24(8-10-25)15-11-13(3)5-6-14(15)4/h5-6,11-12H,7-10H2,1-4H3,(H,22,29)

InChI Key

CSLPIRHDQNTKGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.57

Polar Surface Area

69.181

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

P422-0509 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P422-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P422-0509?
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What is the minimum amount of P422-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P422-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P422-0509
  • 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 P422-0509 available by request