Y020-8074 Screening compound: 6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one

Y020-8074 Screening compound: 6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one
Y020-8074 Screening compound: 6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8074
6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-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

Y020-8074

Molecular Formula

C23H23F3N4OS (C23 H23 F3 N4 OS)

Compound Name

6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one

IUPAC name

6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-34-dihydropyrimidin-4-one

SMILES

Cc(cc1)ccc1SCC(N=C(N1)N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=CC1=O

InChI

InChI=1S/C23H23F3N4OS/c1-16-5-7-20(8-6-16)32-15-18-14-21(31)28-22(27-18)30-11-9-29(10-12-30)19-4-2-3-17(13-19)23(24,25)26/h2-8,13-14H,9-12,15H2,1H3,(H,27,28,31)

InChI Key

BEEFNQPDDDHGLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08709687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.930

Distribution Coefficient, logD

4.904

Water Solubility, LogSw

-4.64

Polar Surface Area

41.351

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y020-8074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-8074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8074?
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What is the minimum amount of Y020-8074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8074
  • 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 Y020-8074 available by request