D468-1094 Screening compound: 1-(4-chlorophenyl)-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1094 Screening compound: 1-(4-chlorophenyl)-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1094 Screening compound: 1-(4-chlorophenyl)-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1094
1-(4-chlorophenyl)-4-{[(3-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

D468-1094

Molecular Formula

C21H19ClN2OS (C21 H19 ClN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CSC(C(CCC2)=C2N2c(cc3)ccc3Cl)=NC2=O)c1

InChI

InChI=1S/C21H19ClN2OS/c1-14-4-2-5-15(12-14)13-26-20-18-6-3-7-19(18)24(21(25)23-20)17-10-8-16(22)9-11-17/h2,4-5,8-12H,3,6-7,13H2,1H3

InChI Key

AFOSAOSZDFLFJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.51

Polar Surface Area

23.874

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D468-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1094?
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What is the minimum amount of D468-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1094
  • 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 D468-1094 available by request