M037-0135 Screening compound: 2-[4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]-N~1~-(4-fluorophenyl)acetamide

M037-0135 Screening compound: 2-[4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]-N~1~-(4-fluorophenyl)acetamide
M037-0135 Screening compound: 2-[4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M037-0135
2-[4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]-N~1~-(4-fluorophenyl)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

M037-0135

Molecular Formula

C23H19FN6O3 (C23 H19 FN6 O3)

Compound Name

2-[4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]-N~1~-(4-fluorophenyl)acetamide

IUPAC name

2-{58-dimethyl-712-dioxo-3-phenyl-1581011-pentaazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}-N-(4-fluorophenyl)acetamide

SMILES

Cn(cc1-c2ccccc2)c(C(N2C)=O)c1N1C2=NN(CC(Nc(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C23H19FN6O3/c1-27-12-17(14-6-4-3-5-7-14)19-20(27)21(32)28(2)22-26-29(23(33)30(19)22)13-18(31)25-16-10-8-15(24)9-11-16/h3-12H,13H2,1-2H3,(H,25,31)

InChI Key

YZOMTCTZBFUVCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.23

Polar Surface Area

74.705

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

M037-0135 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M037-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M037-0135?
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What is the minimum amount of M037-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M037-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M037-0135
  • 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 M037-0135 available by request