6466-0705 Screening compound: 1-(azepan-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

6466-0705 Screening compound: 1-(azepan-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
6466-0705 Screening compound: 1-(azepan-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0705
1-(azepan-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-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

6466-0705

Molecular Formula

C17H18F3N3OS2 (C17 H18 F3 N3 OS2)

Compound Name

1-(azepan-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nc(C(F)(F)F)cc(-c2cccs2)n1)N1CCCCCC1

InChI

InChI=1S/C17H18F3N3OS2/c18-17(19,20)14-10-12(13-6-5-9-25-13)21-16(22-14)26-11-15(24)23-7-3-1-2-4-8-23/h5-6,9-10H,1-4,7-8,11H2

InChI Key

JUGJOCGUWZVKBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.57

Polar Surface Area

34.730

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

6466-0705 in Drug Discovery

Included in Screening Libraries

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 6466-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0705?
Check Price and Availability of 6466-0705, 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 6466-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0705
  • 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 6466-0705 available by request