M177-1068 Screening compound: 2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

M177-1068 Screening compound: 2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
M177-1068 Screening compound: 2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M177-1068
2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[2-(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

M177-1068

Molecular Formula

C23H15F3N6O3 (C23 H15 F3 N6 O3)

Compound Name

2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[3-oxo-8-(3-phenyl-124-oxadiazol-5-yl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN1N=C(C(c2nc(-c3ccccc3)no2)=CC=C2)N2C1=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C23H15F3N6O3/c24-23(25,26)16-10-4-5-11-17(16)27-18(33)13-32-22(34)31-12-6-9-15(20(31)29-32)21-28-19(30-35-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,27,33)

InChI Key

DAQBFNGHFIAQHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.43

Polar Surface Area

85.159

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

M177-1068 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M177-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M177-1068?
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What is the minimum amount of M177-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M177-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M177-1068
  • 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 M177-1068 available by request