7706-0449 Screening compound: 8-amino-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7706-0449 Screening compound: 8-amino-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7706-0449 Screening compound: 8-amino-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0449
8-amino-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-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

7706-0449

Molecular Formula

C17H21N5O4 (C17 H21 N5 O4)

Compound Name

8-amino-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-amino-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cccc(OCC(Cn2c(N)nc(N(C)C(N3C)=O)c2C3=O)O)c1

InChI

InChI=1S/C17H21N5O4/c1-10-5-4-6-12(7-10)26-9-11(23)8-22-13-14(19-16(22)18)20(2)17(25)21(3)15(13)24/h4-7,11,23H,8-9H2,1-3H3,(H2,18,19)/t11-/m0/s1

InChI Key

SDJKAPDKVVSFMA-NSHDSACASA-N

MDL Number (MFCD)

MFCD07187870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.947

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.44

Polar Surface Area

87.585

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

7706-0449 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7706-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0449?
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What is the minimum amount of 7706-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0449
  • 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 7706-0449 available by request