D468-0733 Screening compound: 1-[(furan-2-yl)methyl]-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-0733 Screening compound: 1-[(furan-2-yl)methyl]-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-0733 Screening compound: 1-[(furan-2-yl)methyl]-4-(propylsulfanyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-0733
1-[(furan-2-yl)methyl]-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

D468-0733

Molecular Formula

C15H18N2O2S (C15 H18 N2 O2 S)

Compound Name

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

IUPAC name

1-[(furan-2-yl)methyl]-4-(propylsulfanyl)-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

CCCSC(C(CCC1)=C1N1Cc2ccco2)=NC1=O

InChI

InChI=1S/C15H18N2O2S/c1-2-9-20-14-12-6-3-7-13(12)17(15(18)16-14)10-11-5-4-8-19-11/h4-5,8H,2-3,6-7,9-10H2,1H3

InChI Key

IGARGWTXKWKOJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-3.09

Polar Surface Area

32.506

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

D468-0733 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D468-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-0733?
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What is the minimum amount of D468-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-0733
  • 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 D468-0733 available by request