D468-0897 Screening compound: 1-(2-phenylethyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-0897 Screening compound: 1-(2-phenylethyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-0897 Screening compound: 1-(2-phenylethyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-0897
1-(2-phenylethyl)-4-(propylsulfanyl)-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

D468-0897

Molecular Formula

C18H22N2OS (C18 H22 N2 OS)

Compound Name

1-(2-phenylethyl)-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

1-(2-phenylethyl)-4-(propylsulfanyl)-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

CCCSC(C(CCC1)=C1N1CCc2ccccc2)=NC1=O

InChI

InChI=1S/C18H22N2OS/c1-2-13-22-17-15-9-6-10-16(15)20(18(21)19-17)12-11-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3

InChI Key

VPGWGCVTTDIIDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12966636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.79

Polar Surface Area

24.736

Acid Dissociation Constant (pKa)

22.77

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D468-0897 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D468-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-0897?
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What is the minimum amount of D468-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-0897
  • 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 D468-0897 available by request