D365-0161 Screening compound: 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one

D365-0161 Screening compound: 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
D365-0161 Screening compound: 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0161
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-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

D365-0161

Molecular Formula

C16H16N2O2S (C16 H16 N2 O2 S)

Compound Name

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

IUPAC name

2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3H4H5H6H7H-cyclopenta[d]pyrimidin-4-one

SMILES

Cc(cc1)ccc1C(CSC(N1)=NC(CCC2)=C2C1=O)=O

InChI

InChI=1S/C16H16N2O2S/c1-10-5-7-11(8-6-10)14(19)9-21-16-17-13-4-2-3-12(13)15(20)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,20)

InChI Key

JIWAACFGLDSRSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02357252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

2.035

Water Solubility, LogSw

-2.67

Polar Surface Area

48.085

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D365-0161 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D365-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0161?
Check Price and Availability of D365-0161, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D365-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0161
  • 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 D365-0161 available by request