6466-0698 Screening compound: N-cyclopentyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0698 Screening compound: N-cyclopentyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0698 Screening compound: N-cyclopentyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0698
N-cyclopentyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}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

6466-0698

Molecular Formula

C16H16F3N3OS2 (C16 H16 F3 N3 OS2)

Compound Name

N-cyclopentyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-cyclopentyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nc(C(F)(F)F)cc(-c2cccs2)n1)NC1CCCC1

InChI

InChI=1S/C16H16F3N3OS2/c17-16(18,19)13-8-11(12-6-3-7-24-12)21-15(22-13)25-9-14(23)20-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H,20,23)

InChI Key

SMCBBJMJIRMSIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.35

Polar Surface Area

42.570

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

6466-0698 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6466-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0698?
Check Price and Availability of 6466-0698, 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 6466-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0698
  • 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 6466-0698 available by request