D468-1023 Screening compound: 1-(4-methylphenyl)-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-1023 Screening compound: 1-(4-methylphenyl)-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-1023 Screening compound: 1-(4-methylphenyl)-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1023
1-(4-methylphenyl)-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

D468-1023

Molecular Formula

C22H22N2OS (C22 H22 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(CCC1)=C1C(SCc1cc(C)ccc1)=N1)C1=O

InChI

InChI=1S/C22H22N2OS/c1-15-9-11-18(12-10-15)24-20-8-4-7-19(20)21(23-22(24)25)26-14-17-6-3-5-16(2)13-17/h3,5-6,9-13H,4,7-8,14H2,1-2H3

InChI Key

KDCRJSIHRUFAIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.5

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

5.016

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-4.69

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

27.30

References: we are preparing a list of scientific research reports with D468-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1023?
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What is the minimum amount of D468-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1023
  • 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 D468-1023 available by request