L115-0458 Screening compound: 7-(4-fluorophenyl)-3-(3-methylbutyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

L115-0458 Screening compound: 7-(4-fluorophenyl)-3-(3-methylbutyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
L115-0458 Screening compound: 7-(4-fluorophenyl)-3-(3-methylbutyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L115-0458
7-(4-fluorophenyl)-3-(3-methylbutyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

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

L115-0458

Molecular Formula

C17H17FN2OS (C17 H17 FN2 OS)

Compound Name

7-(4-fluorophenyl)-3-(3-methylbutyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

7-(4-fluorophenyl)-3-(3-methylbutyl)-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CC(C)CCN(C=Nc1c2scc1-c(cc1)ccc1F)C2=O

InChI

InChI=1S/C17H17FN2OS/c1-11(2)7-8-20-10-19-15-14(9-22-16(15)17(20)21)12-3-5-13(18)6-4-12/h3-6,9-11H,7-8H2,1-2H3

InChI Key

XNIOKCSDBZMSMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.328

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-4.24

Polar Surface Area

25.084

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

L115-0458 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L115-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L115-0458?
Check Price and Availability of L115-0458, 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 L115-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L115-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L115-0458
  • 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 L115-0458 available by request