D019-1048 Screening compound: (Z)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl](methylsulfanyl)methanimidamide

D019-1048 Screening compound: (Z)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl](methylsulfanyl)methanimidamide
D019-1048 Screening compound: (Z)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl](methylsulfanyl)methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D019-1048
(Z)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl](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

D019-1048

Molecular Formula

C18H20N4O2S (C18 H20 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1n[nH]c(/N=C(/NCc2ccco2)\SC)c1

InChI

InChI=1S/C18H20N4O2S/c1-3-23-14-8-6-13(7-9-14)16-11-17(22-21-16)20-18(25-2)19-12-15-5-4-10-24-15/h4-11H,3,12H2,1-2H3,(H2,19,20,21,22)

InChI Key

CMICDUOQOAFAHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-4.20

Polar Surface Area

56.778

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D019-1048 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D019-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D019-1048?
Check Price and Availability of D019-1048, 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 D019-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D019-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D019-1048
  • 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 D019-1048 available by request