7282-5800 Screening compound: 1-[(3-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5800 Screening compound: 1-[(3-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5800 Screening compound: 1-[(3-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5800
1-[(3-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-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

7282-5800

Molecular Formula

C17H20FN5O3 (C17 H20 FN5 O3)

Compound Name

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

IUPAC name

1-[(3-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(NCCCO)nc(N(C)C(N2Cc3cccc(F)c3)=O)c1C2=O

InChI

InChI=1S/C17H20FN5O3/c1-21-13-14(20-16(21)19-7-4-8-24)22(2)17(26)23(15(13)25)10-11-5-3-6-12(18)9-11/h3,5-6,9,24H,4,7-8,10H2,1-2H3,(H,19,20)

InChI Key

NCNAECHUEOQHNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05820060

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

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.240

Distribution Coefficient, logD

1.239

Water Solubility, LogSw

-1.99

Polar Surface Area

72.659

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

7282-5800 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 7282-5800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5800?
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What is the minimum amount of 7282-5800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5800
  • 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 7282-5800 available by request