8012-7189 Screening compound: 8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-7189 Screening compound: 8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-7189 Screening compound: 8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7189
8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-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

8012-7189

Molecular Formula

C27H35N9O2S (C27 H35 N9 O2 S)

Compound Name

8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

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

SMILES

CC(C)(C)c1ccc(Cn2c(SCc3nc(N4CCCCC4)nc(N)n3)nc(N(C)C(N3C)=O)c2C3=O)cc1

InChI

InChI=1S/C27H35N9O2S/c1-27(2,3)18-11-9-17(10-12-18)15-36-20-21(33(4)26(38)34(5)22(20)37)31-25(36)39-16-19-29-23(28)32-24(30-19)35-13-7-6-8-14-35/h9-12H,6-8,13-16H2,1-5H3,(H2,28,29,30,32)

InChI Key

AUUDMGKJGXITBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

5.832

Water Solubility, LogSw

-5.25

Polar Surface Area

96.717

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

8012-7189 in Drug Discovery

Included in Screening Libraries

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 8012-7189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7189?
Check Price and Availability of 8012-7189, 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 8012-7189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7189
  • 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 8012-7189 available by request