3238-0393 Screening compound: 7-[(3-fluorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0393 Screening compound: 7-[(3-fluorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0393 Screening compound: 7-[(3-fluorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0393
7-[(3-fluorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-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

3238-0393

Molecular Formula

C17H20FN5O3 (C17 H20 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CNc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1cccc(F)c1)O

InChI

InChI=1S/C17H20FN5O3/c1-10(24)8-19-16-20-14-13(15(25)22(3)17(26)21(14)2)23(16)9-11-5-4-6-12(18)7-11/h4-7,10,24H,8-9H2,1-3H3,(H,19,20)/t10-/m0/s1

InChI Key

OEZDCUHVIRTMMU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02229856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

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

1.917

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.59

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

35.30

3238-0393 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3238-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0393?
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What is the minimum amount of 3238-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0393
  • 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 3238-0393 available by request