7706-0350 Screening compound: 8-{[2-(dimethylamino)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7706-0350 Screening compound: 8-{[2-(dimethylamino)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7706-0350 Screening compound: 8-{[2-(dimethylamino)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0350
8-{[2-(dimethylamino)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-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

7706-0350

Molecular Formula

C20H28N6O4 (C20 H28 N6 O4)

Compound Name

8-{[2-(dimethylamino)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[2-(dimethylamino)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(C)CCNc1nc(N(C)C(N(C)C2=O)=O)c2n1CC(COc1ccccc1)O

InChI

InChI=1S/C20H28N6O4/c1-23(2)11-10-21-19-22-17-16(18(28)25(4)20(29)24(17)3)26(19)12-14(27)13-30-15-8-6-5-7-9-15/h5-9,14,27H,10-13H2,1-4H3,(H,21,22)/t14-/m0/s1

InChI Key

PPRDOQLRVHNYTJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05695154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.880

Distribution Coefficient, logD

-0.888

Water Solubility, LogSw

-2.36

Polar Surface Area

82.944

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

7706-0350 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7706-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0350?
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What is the minimum amount of 7706-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0350
  • 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 7706-0350 available by request