M037-0166 Screening compound: 4,6-dimethyl-8-phenyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(6H)-dione

M037-0166 Screening compound: 4,6-dimethyl-8-phenyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(6H)-dione
M037-0166 Screening compound: 4,6-dimethyl-8-phenyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M037-0166
4,6-dimethyl-8-phenyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(6H)-dione

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

M037-0166

Molecular Formula

C24H19N7O3 (C24 H19 N7 O3)

Compound Name

4,6-dimethyl-8-phenyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(6H)-dione

IUPAC name

58-dimethyl-3-phenyl-11-[(3-phenyl-124-oxadiazol-5-yl)methyl]-1581011-pentaazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

Cn(cc1-c2ccccc2)c(C(N2C)=O)c1N1C2=NN(Cc2nc(-c3ccccc3)no2)C1=O

InChI

InChI=1S/C24H19N7O3/c1-28-13-17(15-9-5-3-6-10-15)19-20(28)22(32)29(2)23-26-30(24(33)31(19)23)14-18-25-21(27-34-18)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3

InChI Key

YPRLMRUEZXUUGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.53

Polar Surface Area

82.899

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

M037-0166 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M037-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M037-0166?
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What is the minimum amount of M037-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M037-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M037-0166
  • 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 M037-0166 available by request