2516-4543 Screening compound: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

2516-4543 Screening compound: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
2516-4543 Screening compound: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-4543
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-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

2516-4543

Molecular Formula

C16H18ClN5O4 (C16 H18 ClN5 O4)

Compound Name

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-2367-tetrahydro-1H-purine-26-dione

SMILES

CNc1nc(N(C)C(NC2=O)=O)c2n1CC(COc(cc1)ccc1Cl)O

InChI

InChI=1S/C16H18ClN5O4/c1-18-15-19-13-12(14(24)20-16(25)21(13)2)22(15)7-10(23)8-26-11-5-3-9(17)4-6-11/h3-6,10,23H,7-8H2,1-2H3,(H,18,19)(H,20,24,25)/t10-/m0/s1

InChI Key

ITUNHDZOLRREKF-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00754442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.81

Polar Surface Area

88.301

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

2516-4543 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 2516-4543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-4543?
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What is the minimum amount of 2516-4543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-4543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-4543
  • 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 2516-4543 available by request