3615-0328 Screening compound: 8-(4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

3615-0328 Screening compound: 8-(4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
3615-0328 Screening compound: 8-(4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0328
8-(4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-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

3615-0328

Molecular Formula

C14H13FN4O3 (C14 H13 FN4 O3)

Compound Name

8-(4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

8-(4-fluorophenoxy)-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Oc(cc2)ccc2F)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C14H13FN4O3/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-9-6-4-8(15)5-7-9/h4-7H,1-3H3

InChI Key

PWVWOSNJQCSDQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02231943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-2.61

Polar Surface Area

50.834

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

3615-0328 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3615-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0328?
Check Price and Availability of 3615-0328, 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 3615-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0328
  • 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 3615-0328 available by request