3900-0003 Screening compound: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,9-dihydro-1H-purin-6-one

3900-0003 Screening compound: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,9-dihydro-1H-purin-6-one
3900-0003 Screening compound: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3900-0003
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[4-(2-hydroxyethyl)piperazin-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

3900-0003

Molecular Formula

C16H24N6O6 (C16 H24 N6 O6)

Compound Name

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

IUPAC name

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

SMILES

OCCN(CC1)CCN1c(n1C(C2O)OC(CO)C2O)nc2c1N=CNC2=O

InChI

InChI=1S/C16H24N6O6/c23-6-5-20-1-3-21(4-2-20)16-19-10-13(17-8-18-14(10)27)22(16)15-12(26)11(25)9(7-24)28-15/h8-9,11-12,15,23-26H,1-7H2,(H,17,18,27)

InChI Key

NSJDMSBFUJXXCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00333843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-2.207

Distribution Coefficient, logD

-3.083

Water Solubility, LogSw

-1.20

Polar Surface Area

127.995

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

68.80

3900-0003 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

STING Agonist Library (5895 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Others
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3900-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3900-0003?
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What is the minimum amount of 3900-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3900-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3900-0003
  • 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 3900-0003 available by request