M191-0016 Screening compound: 2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0016 Screening compound: 2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0016 Screening compound: 2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M191-0016
2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)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

M191-0016

Molecular Formula

C14H11ClN6O2S (C14 H11 ClN6 O2 S)

Compound Name

2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide

IUPAC name

2-{[4-(3-chlorophenyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-124-triazol-3-yl)acetamide

SMILES

O=C(CSC(N1)=NC(c2cccc(Cl)c2)=CC1=O)Nc1nnc[nH]1

InChI

InChI=1S/C14H11ClN6O2S/c15-9-3-1-2-8(4-9)10-5-11(22)20-14(18-10)24-6-12(23)19-13-16-7-17-21-13/h1-5,7H,6H2,(H,18,20,22)(H2,16,17,19,21,23)

InChI Key

NBTTZYXDYSABFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.632

Distribution Coefficient, logD

0.182

Water Solubility, LogSw

-2.66

Polar Surface Area

94.516

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

M191-0016 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M191-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0016?
Check Price and Availability of M191-0016, 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 M191-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0016
  • 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 M191-0016 available by request