D468-1008 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1008 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1008 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1008
4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-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

D468-1008

Molecular Formula

C21H19ClN2OS (C21 H19 ClN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(CCC1)=C1C(SCc(cccc1)c1Cl)=N1)C1=O

InChI

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

InChI Key

CTOKMTRSTNVISF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919883

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

5.028

Distribution Coefficient, logD

5.028

Water Solubility, LogSw

-5.07

Polar Surface Area

23.874

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D468-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1008?
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What is the minimum amount of D468-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1008
  • 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 D468-1008 available by request