8016-6656 Screening compound: 8-{[(4-amino-6-piperidino-1,3,5-triazin-2-yl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

8016-6656 Screening compound: 8-{[(4-amino-6-piperidino-1,3,5-triazin-2-yl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
8016-6656 Screening compound: 8-{[(4-amino-6-piperidino-1,3,5-triazin-2-yl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6656
8-{[(4-amino-6-piperidino-1,3,5-triazin-2-yl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-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

8016-6656

Molecular Formula

C19H27N9O2S (C19 H27 N9 O2 S)

Compound Name

8-{[(4-amino-6-piperidino-1,3,5-triazin-2-yl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

8-({[4-amino-6-(piperidin-1-yl)-135-triazin-2-yl]methyl}sulfanyl)-13-dimethyl-7-propyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCn1c(SCc2nc(N3CCCCC3)nc(N)n2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C19H27N9O2S/c1-4-8-28-13-14(25(2)19(30)26(3)15(13)29)23-18(28)31-11-12-21-16(20)24-17(22-12)27-9-6-5-7-10-27/h4-11H2,1-3H3,(H2,20,21,22,24)

InChI Key

GTBYJOKSGUOFML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.48

Polar Surface Area

96.967

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

8016-6656 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8016-6656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6656?
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What is the minimum amount of 8016-6656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6656
  • 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 8016-6656 available by request