5408-0467 Screening compound: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylpiperazin-1-yl)-6,9-dihydro-1H-purin-6-one

5408-0467 Screening compound: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylpiperazin-1-yl)-6,9-dihydro-1H-purin-6-one
5408-0467 Screening compound: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylpiperazin-1-yl)-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0467
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylpiperazin-1-yl)-6,9-dihydro-1H-purin-6-one

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

5408-0467

Molecular Formula

C15H23N7O5 (C15 H23 N7 O5)

Compound Name

2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylpiperazin-1-yl)-6,9-dihydro-1H-purin-6-one

IUPAC name

2-amino-9-[34-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylpiperazin-1-yl)-69-dihydro-1H-purin-6-one

SMILES

CN(CC1)CCN1c(n1C(C2O)OC(CO)C2O)nc2c1N=C(N)NC2=O

InChI

InChI=1S/C15H23N7O5/c1-20-2-4-21(5-3-20)15-17-8-11(18-14(16)19-12(8)26)22(15)13-10(25)9(24)7(6-23)27-13/h7,9-10,13,23-25H,2-6H2,1H3,(H3,16,18,19,26)

InChI Key

HDCQGHNJHFUBMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00630596

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-1.542

Distribution Coefficient, logD

-3.147

Water Solubility, LogSw

-1.33

Polar Surface Area

131.595

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

66.70

5408-0467 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Others
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5408-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0467?
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What is the minimum amount of 5408-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0467
  • 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 5408-0467 available by request