4236-1069 Screening compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1069 Screening compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1069 Screening compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1069
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-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

4236-1069

Molecular Formula

C17H18FN5O2 (C17 H18 FN5 O2)

Compound Name

7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(4-fluorophenyl)methyl]-13-dimethyl-8-[(prop-2-en-1-yl)amino]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3F)c(NCC=C)n1)C2=O

InChI

InChI=1S/C17H18FN5O2/c1-4-9-19-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)10-11-5-7-12(18)8-6-11/h4-8H,1,9-10H2,2-3H3,(H,19,20)

InChI Key

DWBRQZYYESCGBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02579117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.10

Polar Surface Area

54.959

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4236-1069 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4236-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-1069?
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What is the minimum amount of 4236-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1069
  • 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 4236-1069 available by request