D090-0128 Screening compound: 7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D090-0128 Screening compound: 7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D090-0128 Screening compound: 7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0128
7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-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

D090-0128

Molecular Formula

C13H21N5O4 (C13 H21 N5 O4)

Compound Name

7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(23-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(C)CCN(C(c1c(N2C)ncn1CC(CO)O)=O)C2=O

InChI

InChI=1S/C13H21N5O4/c1-15(2)4-5-18-12(21)10-11(16(3)13(18)22)14-8-17(10)6-9(20)7-19/h8-9,19-20H,4-7H2,1-3H3/t9-/m0/s1

InChI Key

OKWMTFYIQTVMIC-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02925910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.556

Distribution Coefficient, logD

-3.528

Water Solubility, LogSw

-0.61

Polar Surface Area

81.045

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

D090-0128 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D090-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0128?
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What is the minimum amount of D090-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0128
  • 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 D090-0128 available by request