P422-0898 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(2-methylpropyl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

P422-0898 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(2-methylpropyl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
P422-0898 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(2-methylpropyl)-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P422-0898
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(2-methylpropyl)-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

P422-0898

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

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

IUPAC name

3-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-6-(2-methylpropyl)-4H5H6H7H-[12]thiazolo[43-d]pyrimidine-57-dione

SMILES

CC(C)CN(C(c1nsc(C(N(CC2)CCN2c2c(C)c(C)ccc2)=O)c1N1)=O)C1=O

InChI

InChI=1S/C22H27N5O3S/c1-13(2)12-27-20(28)18-17(23-22(27)30)19(31-24-18)21(29)26-10-8-25(9-11-26)16-7-5-6-14(3)15(16)4/h5-7,13H,8-12H2,1-4H3,(H,23,30)

InChI Key

AJHXAGFJYIVGMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.90

Polar Surface Area

69.460

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with P422-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P422-0898?
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What is the minimum amount of P422-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P422-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P422-0898
  • 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 P422-0898 available by request