P422-0772 Screening compound: 6-butyl-3-[(4-methylpiperidino)carbonyl]isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

P422-0772 Screening compound: 6-butyl-3-[(4-methylpiperidino)carbonyl]isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
P422-0772 Screening compound: 6-butyl-3-[(4-methylpiperidino)carbonyl]isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P422-0772
6-butyl-3-[(4-methylpiperidino)carbonyl]isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-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

P422-0772

Molecular Formula

C16H22N4O3S (C16 H22 N4 O3 S)

Compound Name

6-butyl-3-[(4-methylpiperidino)carbonyl]isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

IUPAC name

n/a

SMILES

CCCCN(C(c1nsc(C(N2CCC(C)CC2)=O)c1N1)=O)C1=O

InChI

InChI=1S/C16H22N4O3S/c1-3-4-7-20-14(21)12-11(17-16(20)23)13(24-18-12)15(22)19-8-5-10(2)6-9-19/h10H,3-9H2,1-2H3,(H,17,23)

InChI Key

MOAKHCROQDJWQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.393

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.70

Polar Surface Area

66.479

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

P422-0772 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P422-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P422-0772?
Check Price and Availability of P422-0772, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P422-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P422-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P422-0772
  • 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 P422-0772 available by request