M451-1890 Screening compound: 2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

M451-1890 Screening compound: 2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
M451-1890 Screening compound: 2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-1890
2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]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

M451-1890

Molecular Formula

C20H20F3N5O2S (C20 H20 F3 N5 O2 S)

Compound Name

2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[8-(cyclohexylsulfanyl)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN1N=C(C(SC2CCCCC2)=NC=C2)N2C1=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H20F3N5O2S/c21-20(22,23)13-5-4-6-14(11-13)25-16(29)12-28-19(30)27-10-9-24-18(17(27)26-28)31-15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8,12H2,(H,25,29)

InChI Key

WYFRCQAIBWCSKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-4.30

Polar Surface Area

62.779

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M451-1890 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M451-1890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-1890?
Check Price and Availability of M451-1890, 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 M451-1890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-1890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-1890
  • 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 M451-1890 available by request