D019-1101 Screening compound: (Z)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenyl(methylsulfanyl)methanimidamide

D019-1101 Screening compound: (Z)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenyl(methylsulfanyl)methanimidamide
D019-1101 Screening compound: (Z)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenyl(methylsulfanyl)methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D019-1101
(Z)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenyl(methylsulfanyl)methanimidamide

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

D019-1101

Molecular Formula

C18H17FN4S (C18 H17 FN4 S)

Compound Name

(Z)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenyl(methylsulfanyl)methanimidamide

IUPAC name

(Z)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenyl(methylsulfanyl)methanimidamide

SMILES

Cc1n[nH]c(/N=C(/Nc2ccccc2)\SC)c1-c(cccc1)c1F

InChI

InChI=1S/C18H17FN4S/c1-12-16(14-10-6-7-11-15(14)19)17(23-22-12)21-18(24-2)20-13-8-4-3-5-9-13/h3-11H,1-2H3,(H2,20,21,22,23)

InChI Key

VYPFAYQOOPFJMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.54

Polar Surface Area

41.233

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D019-1101 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D019-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D019-1101?
Check Price and Availability of D019-1101, 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 D019-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D019-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D019-1101
  • 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 D019-1101 available by request