4676-1019 Screening compound: 5-methoxy-3-methyl-4-[(4-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazole

4676-1019 Screening compound: 5-methoxy-3-methyl-4-[(4-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazole
4676-1019 Screening compound: 5-methoxy-3-methyl-4-[(4-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-1019
5-methoxy-3-methyl-4-[(4-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazole

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

4676-1019

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

5-methoxy-3-methyl-4-[(4-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazole

IUPAC name

5-methoxy-3-methyl-4-[(4-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazole

SMILES

Cc(c(Sc(cc1)ccc1[N+]([O-])=O)c1OC)nn1-c1ccccc1

InChI

InChI=1S/C17H15N3O3S/c1-12-16(24-15-10-8-14(9-11-15)20(21)22)17(23-2)19(18-12)13-6-4-3-5-7-13/h3-11H,1-2H3

InChI Key

LLUJPKINUFWKIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00660328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.39

Polar Surface Area

54.826

Acid Dissociation Constant (pKa)

32.10

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4676-1019 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4676-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-1019?
Check Price and Availability of 4676-1019, 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 4676-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-1019
  • 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 4676-1019 available by request