8012-9025 Screening compound: 8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-9025 Screening compound: 8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-9025 Screening compound: 8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9025
8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-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

8012-9025

Molecular Formula

C23H27N9O4 (C23 H27 N9 O4)

Compound Name

8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

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

SMILES

Cc1ccc(Cn2c(OCc3nc(N4CCOCC4)nc(N)n3)nc(N(C)C(N3C)=O)c2C3=O)cc1

InChI

InChI=1S/C23H27N9O4/c1-14-4-6-15(7-5-14)12-32-17-18(29(2)23(34)30(3)19(17)33)27-22(32)36-13-16-25-20(24)28-21(26-16)31-8-10-35-11-9-31/h4-7H,8-13H2,1-3H3,(H2,24,25,26,28)

InChI Key

IFMCHYUDLRXNAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-2.81

Polar Surface Area

111.843

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8012-9025 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-9025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9025?
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What is the minimum amount of 8012-9025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9025
  • 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 8012-9025 available by request