D306-0022 Screening compound: 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

D306-0022 Screening compound: 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
D306-0022 Screening compound: 2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0022
2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

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

D306-0022

Molecular Formula

C17H16F3N3OS (C17 H16 F3 N3 OS)

Compound Name

2-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({2-methyl-5H6H7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1nc(CCC2)c2c(SCC(Nc2c(C(F)(F)F)cccc2)=O)n1

InChI

InChI=1S/C17H16F3N3OS/c1-10-21-13-8-4-5-11(13)16(22-10)25-9-15(24)23-14-7-3-2-6-12(14)17(18,19)20/h2-3,6-7H,4-5,8-9H2,1H3,(H,23,24)

InChI Key

FLQPDHCMSGUSCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.03

Polar Surface Area

42.521

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D306-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D306-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0022?
Check Price and Availability of D306-0022, 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 D306-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0022
  • 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 D306-0022 available by request