D468-1059 Screening compound: 1-(4-methoxyphenyl)-4-{[(2-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1059 Screening compound: 1-(4-methoxyphenyl)-4-{[(2-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1059 Screening compound: 1-(4-methoxyphenyl)-4-{[(2-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1059
1-(4-methoxyphenyl)-4-{[(2-methylphenyl)methyl]sulfanyl}-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

D468-1059

Molecular Formula

C22H22N2O2S (C22 H22 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(C(CCC2)=C2N2c(cc3)ccc3OC)=NC2=O)cccc1

InChI

InChI=1S/C22H22N2O2S/c1-15-6-3-4-7-16(15)14-27-21-19-8-5-9-20(19)24(22(25)23-21)17-10-12-18(26-2)13-11-17/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3

InChI Key

KFNIFUIWFMCQMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.49

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

4.729

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.49

Polar Surface Area

31.418

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D468-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1059?
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What is the minimum amount of D468-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1059
  • 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 D468-1059 available by request