M495-0983 Screening compound: N-methyl-1-(6-{[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]sulfanyl}pyridazin-3-yl)-1H-imidazole-4-carboxamide

M495-0983 Screening compound: N-methyl-1-(6-{[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]sulfanyl}pyridazin-3-yl)-1H-imidazole-4-carboxamide
M495-0983 Screening compound: N-methyl-1-(6-{[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]sulfanyl}pyridazin-3-yl)-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M495-0983
N-methyl-1-(6-{[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]sulfanyl}pyridazin-3-yl)-1H-imidazole-4-carboxamide

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

M495-0983

Molecular Formula

C19H17F3N6O2S (C19 H17 F3 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CNC(c(nc1)cn1-c(cc1)nnc1SCC(NCc1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C19H17F3N6O2S/c1-23-18(30)14-9-28(11-25-14)15-5-6-17(27-26-15)31-10-16(29)24-8-12-3-2-4-13(7-12)19(20,21)22/h2-7,9,11H,8,10H2,1H3,(H,23,30)(H,24,29)

InChI Key

KNMUKGLGDNESDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.078

Distribution Coefficient, logD

2.078

Water Solubility, LogSw

-2.53

Polar Surface Area

82.079

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M495-0983 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M495-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M495-0983?
Check Price and Availability of M495-0983, 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 M495-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M495-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M495-0983
  • 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 M495-0983 available by request