M770-0456 Screening compound: 3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-FLUORO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE

M770-0456 Screening compound: 3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-FLUORO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE
M770-0456 Screening compound: 3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-FLUORO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M770-0456
3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-FLUORO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE

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

M770-0456

Molecular Formula

C16H12FN5O2 (C16 H12 FN5 O2)

Compound Name

3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-FLUORO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE

IUPAC name

3-[(3-cyclopropyl-124-oxadiazol-5-yl)methyl]-8-fluoro-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

O=C1N(Cc2nc(C3CC3)no2)C=Nc2c1[nH]c(cc1)c2cc1F

InChI

InChI=1S/C16H12FN5O2/c17-9-3-4-11-10(5-9)13-14(19-11)16(23)22(7-18-13)6-12-20-15(21-24-12)8-1-2-8/h3-5,7-8,19H,1-2,6H2

InChI Key

RVLDXTMHIGBACS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-2.71

Polar Surface Area

66.163

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M770-0456 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Structure:
  • Cyclic compounds
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M770-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M770-0456?
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What is the minimum amount of M770-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M770-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M770-0456
  • 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 M770-0456 available by request