D468-1084 Screening compound: 4-(butylsulfanyl)-1-(4-chlorophenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1084 Screening compound: 4-(butylsulfanyl)-1-(4-chlorophenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1084 Screening compound: 4-(butylsulfanyl)-1-(4-chlorophenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1084
4-(butylsulfanyl)-1-(4-chlorophenyl)-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

D468-1084

Molecular Formula

C17H19ClN2OS (C17 H19 ClN2 OS)

Compound Name

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

IUPAC name

4-(butylsulfanyl)-1-(4-chlorophenyl)-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

CCCCSC(C(CCC1)=C1N1c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C17H19ClN2OS/c1-2-3-11-22-16-14-5-4-6-15(14)20(17(21)19-16)13-9-7-12(18)8-10-13/h7-10H,2-6,11H2,1H3

InChI Key

JLWCIIDGVOKEAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.57

Polar Surface Area

24.146

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

D468-1084 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 D468-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1084?
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What is the minimum amount of D468-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1084
  • 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 D468-1084 available by request