M494-0825 Screening compound: methyl 1-{6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-1H-imidazole-4-carboxylate

M494-0825 Screening compound: methyl 1-{6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-1H-imidazole-4-carboxylate
M494-0825 Screening compound: methyl 1-{6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-1H-imidazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M494-0825
methyl 1-{6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-1H-imidazole-4-carboxylate

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

M494-0825

Molecular Formula

C18H14F3N5O3S (C18 H14 F3 N5 O3 S)

Compound Name

methyl 1-{6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-1H-imidazole-4-carboxylate

IUPAC name

methyl 1-{6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-1H-imidazole-4-carboxylate

SMILES

COC(c(nc1)cn1-c(cc1)nnc1SCC(Nc1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C18H14F3N5O3S/c1-29-17(28)13-8-26(10-22-13)14-6-7-16(25-24-14)30-9-15(27)23-12-5-3-2-4-11(12)18(19,20)21/h2-8,10H,9H2,1H3,(H,23,27)

InChI Key

XQXHUJHIJIAYPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.679

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-3.29

Polar Surface Area

76.398

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M494-0825 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M494-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M494-0825?
Check Price and Availability of M494-0825, 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 M494-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M494-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M494-0825
  • 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 M494-0825 available by request