7213-0288 Screening compound: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

7213-0288 Screening compound: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
7213-0288 Screening compound: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0288
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-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

7213-0288

Molecular Formula

C18H18F3N5O2S (C18 H18 F3 N5 O2 S)

Compound Name

N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

IUPAC name

N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

SMILES

CCn1ncc(CNC(CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)=O)c1

InChI

InChI=1S/C18H18F3N5O2S/c1-2-26-11-12(10-23-26)9-22-16(27)5-7-29-17-24-13(14-4-3-6-28-14)8-15(25-17)18(19,20)21/h3-4,6,8,10-11H,2,5,7,9H2,1H3,(H,22,27)

InChI Key

BFLSAHOOMNTVSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.652

Water Solubility, LogSw

-2.84

Polar Surface Area

64.540

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7213-0288 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 7213-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0288?
Check Price and Availability of 7213-0288, 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 7213-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0288
  • 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 7213-0288 available by request