4236-1066 Screening compound: 8-(ethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1066 Screening compound: 8-(ethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1066 Screening compound: 8-(ethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1066
8-(ethylamino)-7-[(4-fluorophenyl)methyl]-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

4236-1066

Molecular Formula

C16H18FN5O2 (C16 H18 FN5 O2)

Compound Name

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

IUPAC name

8-(ethylamino)-7-[(4-fluorophenyl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCNc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc(cc1)ccc1F

InChI

InChI=1S/C16H18FN5O2/c1-4-18-15-19-13-12(14(23)21(3)16(24)20(13)2)22(15)9-10-5-7-11(17)8-6-10/h5-8H,4,9H2,1-3H3,(H,18,19)

InChI Key

DWQIAEMIAZQBHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02579114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.82

Polar Surface Area

54.744

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

4236-1066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4236-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-1066?
Check Price and Availability of 4236-1066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4236-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1066
  • 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 4236-1066 available by request