M491-0694 Screening compound: 2-({5-chloro-6-oxo-1-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,6-dihydropyridazin-4-yl}sulfanyl)-N-methylacetamide

M491-0694 Screening compound: 2-({5-chloro-6-oxo-1-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,6-dihydropyridazin-4-yl}sulfanyl)-N-methylacetamide
M491-0694 Screening compound: 2-({5-chloro-6-oxo-1-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,6-dihydropyridazin-4-yl}sulfanyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M491-0694
2-({5-chloro-6-oxo-1-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,6-dihydropyridazin-4-yl}sulfanyl)-N-methylacetamide

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

M491-0694

Molecular Formula

C17H16ClF3N4O3S (C17 H16 ClF3 N4 O3 S)

Compound Name

2-({5-chloro-6-oxo-1-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-1,6-dihydropyridazin-4-yl}sulfanyl)-N-methylacetamide

IUPAC name

2-({5-chloro-6-oxo-1-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]-16-dihydropyridazin-4-yl}sulfanyl)-N-methylacetamide

SMILES

CNC(CSC(C=NN(CC(NCc1cc(C(F)(F)F)ccc1)=O)C1=O)=C1Cl)=O

InChI

InChI=1S/C17H16ClF3N4O3S/c1-22-14(27)9-29-12-7-24-25(16(28)15(12)18)8-13(26)23-6-10-3-2-4-11(5-10)17(19,20)21/h2-5,7H,6,8-9H2,1H3,(H,22,27)(H,23,26)

InChI Key

BKGKYTDQQJCFHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.973

Distribution Coefficient, logD

1.973

Water Solubility, LogSw

-3.03

Polar Surface Area

77.595

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

M491-0694 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M491-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M491-0694?
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What is the minimum amount of M491-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M491-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M491-0694
  • 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 M491-0694 available by request