D114-0024 Screening compound: 8-[(2-hydroxypropyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D114-0024 Screening compound: 8-[(2-hydroxypropyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D114-0024 Screening compound: 8-[(2-hydroxypropyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D114-0024
8-[(2-hydroxypropyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)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

D114-0024

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

8-[(2-hydroxypropyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2-hydroxypropyl)amino]-13-dimethyl-7-[(3-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(CNc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1cc(C)ccc1)O

InChI

InChI=1S/C18H23N5O3/c1-11-6-5-7-13(8-11)10-23-14-15(20-17(23)19-9-12(2)24)21(3)18(26)22(4)16(14)25/h5-8,12,24H,9-10H2,1-4H3,(H,19,20)/t12-/m0/s1

InChI Key

SQPSJIHOKIZGIB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06632539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-2.69

Polar Surface Area

71.596

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D114-0024 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D114-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D114-0024?
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What is the minimum amount of D114-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D114-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D114-0024
  • 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 D114-0024 available by request