4236-1111 Screening compound: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1111 Screening compound: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1111 Screening compound: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1111
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)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

4236-1111

Molecular Formula

C23H31N5O5 (C23 H31 N5 O5)

Compound Name

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

IUPAC name

8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(COc(cc3)ccc3OC)O)c(NC3CCCCC3)n1)C2=O

InChI

InChI=1S/C23H31N5O5/c1-26-20-19(21(30)27(2)23(26)31)28(22(25-20)24-15-7-5-4-6-8-15)13-16(29)14-33-18-11-9-17(32-3)10-12-18/h9-12,15-16,29H,4-8,13-14H2,1-3H3,(H,24,25)/t16-/m0/s1

InChI Key

DACMHMPOUOOWOB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02579146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.86

Polar Surface Area

86.234

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

4236-1111 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 4236-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-1111?
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What is the minimum amount of 4236-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1111
  • 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 4236-1111 available by request