6466-0361 Screening compound: N-[3-(diethylamino)propyl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0361 Screening compound: N-[3-(diethylamino)propyl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0361 Screening compound: N-[3-(diethylamino)propyl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0361
N-[3-(diethylamino)propyl]-2-{[4-(4-fluorophenyl)-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

6466-0361

Molecular Formula

C20H24F4N4OS (C20 H24 F4 N4 OS)

Compound Name

N-[3-(diethylamino)propyl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-[3-(diethylamino)propyl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

SMILES

CCN(CC)CCCNC(CSc1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C20H24F4N4OS/c1-3-28(4-2)11-5-10-25-18(29)13-30-19-26-16(12-17(27-19)20(22,23)24)14-6-8-15(21)9-7-14/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,25,29)

InChI Key

QUNJDUKCZGAQAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

1.421

Water Solubility, LogSw

-3.98

Polar Surface Area

44.984

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

6466-0361 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6466-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0361?
Check Price and Availability of 6466-0361, 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 6466-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0361
  • 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 6466-0361 available by request