2516-4063 Screening compound: 3-methyl-8-(piperazin-1-yl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

2516-4063 Screening compound: 3-methyl-8-(piperazin-1-yl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
2516-4063 Screening compound: 3-methyl-8-(piperazin-1-yl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-4063
3-methyl-8-(piperazin-1-yl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-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

2516-4063

Molecular Formula

C13H20N6O2 (C13 H20 N6 O2)

Compound Name

3-methyl-8-(piperazin-1-yl)-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-methyl-8-(piperazin-1-yl)-7-(propan-2-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)n1c(N2CCNCC2)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C13H20N6O2/c1-8(2)19-9-10(17(3)13(21)16-11(9)20)15-12(19)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,16,20,21)

InChI Key

USHGDNVZKSOSAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00229948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.514

Distribution Coefficient, logD

-1.955

Water Solubility, LogSw

-1.66

Polar Surface Area

67.919

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

2516-4063 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2516-4063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-4063?
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What is the minimum amount of 2516-4063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-4063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-4063
  • 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 2516-4063 available by request