3346-2623 Screening compound: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3346-2623 Screening compound: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3346-2623 Screening compound: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-2623
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-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

3346-2623

Molecular Formula

C21H26N6O6 (C21 H26 N6 O6)

Compound Name

8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CC(COc(cc3)ccc3[N+]([O-])=O)O)c(NC3CCCCC3)n1)C2=O

InChI

InChI=1S/C21H26N6O6/c1-25-18-17(19(29)24-21(25)30)26(20(23-18)22-13-5-3-2-4-6-13)11-15(28)12-33-16-9-7-14(8-10-16)27(31)32/h7-10,13,15,28H,2-6,11-12H2,1H3,(H,22,23)(H,24,29,30)/t15-/m0/s1

InChI Key

GWGVWQMBZQKYAY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02983571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.60

Polar Surface Area

120.986

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

3346-2623 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 3346-2623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-2623?
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What is the minimum amount of 3346-2623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-2623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-2623
  • 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 3346-2623 available by request