7213-0242 Screening compound: 3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]propanamide

7213-0242 Screening compound: 3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]propanamide
7213-0242 Screening compound: 3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0242
3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]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

7213-0242

Molecular Formula

C18H21F3N4O3S (C18 H21 F3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCN1CCOCC1

InChI

InChI=1S/C18H21F3N4O3S/c19-18(20,21)15-12-13(14-2-1-8-28-14)23-17(24-15)29-11-3-16(26)22-4-5-25-6-9-27-10-7-25/h1-2,8,12H,3-7,9-11H2,(H,22,26)

InChI Key

SVVYPWNDRVWYNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-2.60

Polar Surface Area

61.771

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

7213-0242 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 7213-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0242?
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What is the minimum amount of 7213-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0242
  • 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 7213-0242 available by request