M177-0899 Screening compound: methyl 5-({8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}methyl)furan-2-carboxylate

M177-0899 Screening compound: methyl 5-({8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}methyl)furan-2-carboxylate
M177-0899 Screening compound: methyl 5-({8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M177-0899
methyl 5-({8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}methyl)furan-2-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

M177-0899

Molecular Formula

C21H14ClN5O5 (C21 H14 ClN5 O5)

Compound Name

methyl 5-({8-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}methyl)furan-2-carboxylate

IUPAC name

methyl 5-({8-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl}methyl)furan-2-carboxylate

SMILES

COC(c1ccc(CN2N=C(C(c3nc(-c(cc4)ccc4Cl)no3)=CC=C3)N3C2=O)o1)=O

InChI

InChI=1S/C21H14ClN5O5/c1-30-20(28)16-9-8-14(31-16)11-27-21(29)26-10-2-3-15(18(26)24-27)19-23-17(25-32-19)12-4-6-13(22)7-5-12/h2-10H,11H2,1H3

InChI Key

WEZOFZCGDAISIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.146

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.56

Polar Surface Area

91.722

Acid Dissociation Constant (pKa)

27.69

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

M177-0899 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M177-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M177-0899?
Check Price and Availability of M177-0899, 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 M177-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M177-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M177-0899
  • 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 M177-0899 available by request