5941-3070 Screening compound: N-(4-methoxyphenyl)-2-{[4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

5941-3070 Screening compound: N-(4-methoxyphenyl)-2-{[4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
5941-3070 Screening compound: N-(4-methoxyphenyl)-2-{[4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-3070
N-(4-methoxyphenyl)-2-{[4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

5941-3070

Molecular Formula

C19H21N5O2S (C19 H21 N5 O2 S)

Compound Name

N-(4-methoxyphenyl)-2-{[4-propyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-methoxyphenyl)-2-{[4-propyl-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCCn1c(SCC(Nc(cc2)ccc2OC)=O)nnc1-c1ccncc1

InChI

InChI=1S/C19H21N5O2S/c1-3-12-24-18(14-8-10-20-11-9-14)22-23-19(24)27-13-17(25)21-15-4-6-16(26-2)7-5-15/h4-11H,3,12-13H2,1-2H3,(H,21,25)

InChI Key

UWXXYCWFJKYUEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03724900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.27

Polar Surface Area

64.340

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

5941-3070 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5941-3070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-3070?
Check Price and Availability of 5941-3070, 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 5941-3070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-3070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-3070
  • 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 5941-3070 available by request