7213-0221 Screening compound: N-cyclopentyl-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

7213-0221 Screening compound: N-cyclopentyl-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
7213-0221 Screening compound: N-cyclopentyl-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0221
N-cyclopentyl-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

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

7213-0221

Molecular Formula

C17H18F3N3O2S (C17 H18 F3 N3 O2 S)

Compound Name

N-cyclopentyl-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

IUPAC name

N-cyclopentyl-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

SMILES

O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1

InChI

InChI=1S/C17H18F3N3O2S/c18-17(19,20)14-10-12(13-6-3-8-25-13)22-16(23-14)26-9-7-15(24)21-11-4-1-2-5-11/h3,6,8,10-11H,1-2,4-5,7,9H2,(H,21,24)

InChI Key

LAHVMCDBEDFLPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.00

Polar Surface Area

50.130

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

7213-0221 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7213-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0221?
Check Price and Availability of 7213-0221, 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 7213-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0221
  • 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 7213-0221 available by request