M491-0748 Screening compound: 2-{[5-chloro-6-oxo-1-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,6-dihydropyridazin-4-yl]sulfanyl}-N-ethylacetamide

M491-0748 Screening compound: 2-{[5-chloro-6-oxo-1-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,6-dihydropyridazin-4-yl]sulfanyl}-N-ethylacetamide
M491-0748 Screening compound: 2-{[5-chloro-6-oxo-1-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,6-dihydropyridazin-4-yl]sulfanyl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M491-0748
2-{[5-chloro-6-oxo-1-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,6-dihydropyridazin-4-yl]sulfanyl}-N-ethylacetamide

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

M491-0748

Molecular Formula

C17H16ClF3N4O3S (C17 H16 ClF3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCNC(CSC(C=NN(CC(Nc1c(C(F)(F)F)cccc1)=O)C1=O)=C1Cl)=O

InChI

InChI=1S/C17H16ClF3N4O3S/c1-2-22-14(27)9-29-12-7-23-25(16(28)15(12)18)8-13(26)24-11-6-4-3-5-10(11)17(19,20)21/h3-7H,2,8-9H2,1H3,(H,22,27)(H,24,26)

InChI Key

CFVAMOJTZWAYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544408

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

2.518

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-3.44

Polar Surface Area

75.050

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with M491-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M491-0748?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M491-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M491-0748
  • 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 M491-0748 available by request