D468-1259 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-1-(3-methoxyphenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1259 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-1-(3-methoxyphenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1259 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-1-(3-methoxyphenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1259
4-{[(4-fluorophenyl)methyl]sulfanyl}-1-(3-methoxyphenyl)-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

D468-1259

Molecular Formula

C21H19FN2O2S (C21 H19 FN2 O2 S)

Compound Name

4-{[(4-fluorophenyl)methyl]sulfanyl}-1-(3-methoxyphenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

4-{[(4-fluorophenyl)methyl]sulfanyl}-1-(3-methoxyphenyl)-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

COc1cccc(N(C(CCC2)=C2C(SCc(cc2)ccc2F)=N2)C2=O)c1

InChI

InChI=1S/C21H19FN2O2S/c1-26-17-5-2-4-16(12-17)24-19-7-3-6-18(19)20(23-21(24)25)27-13-14-8-10-15(22)11-9-14/h2,4-5,8-12H,3,6-7,13H2,1H3

InChI Key

GUOKVKIDMCDXOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

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

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-3.98

Polar Surface Area

31.418

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D468-1259 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D468-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1259?
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What is the minimum amount of D468-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1259
  • 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 D468-1259 available by request