3238-0272 Screening compound: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0272 Screening compound: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0272 Screening compound: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0272
8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(2-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

3238-0272

Molecular Formula

C17H21N5O3 (C17 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(NCCO)nc(N(C)C(N3C)=O)c2C3=O)cccc1

InChI

InChI=1S/C17H21N5O3/c1-11-6-4-5-7-12(11)10-22-13-14(19-16(22)18-8-9-23)20(2)17(25)21(3)15(13)24/h4-7,23H,8-10H2,1-3H3,(H,18,19)

InChI Key

MSCHLGBCYSJNHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05819976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

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

2.346

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-2.51

Polar Surface Area

71.615

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

3238-0272 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 3238-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0272?
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What is the minimum amount of 3238-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0272
  • 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 3238-0272 available by request