D468-0454 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-0454 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-0454 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-0454
4-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-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

D468-0454

Molecular Formula

C15H15FN2OS (C15 H15 FN2 OS)

Compound Name

4-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

4-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

CN(C(CCC1)=C1C(SCc(cc1)ccc1F)=N1)C1=O

InChI

InChI=1S/C15H15FN2OS/c1-18-13-4-2-3-12(13)14(17-15(18)19)20-9-10-5-7-11(16)8-6-10/h5-8H,2-4,9H2,1H3

InChI Key

ORZAPXRYQGGOAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.266

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-2.47

Polar Surface Area

24.523

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D468-0454 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D468-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-0454?
Check Price and Availability of D468-0454, 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 D468-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-0454
  • 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 D468-0454 available by request