M613-1184 Screening compound: CYCLOPROPYL(4-{[3-(3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1,4-DIAZEPAN-1-YL)METHANONE

M613-1184 Screening compound: CYCLOPROPYL(4-{[3-(3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1,4-DIAZEPAN-1-YL)METHANONE
M613-1184 Screening compound: CYCLOPROPYL(4-{[3-(3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1,4-DIAZEPAN-1-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M613-1184
CYCLOPROPYL(4-{[3-(3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1,4-DIAZEPAN-1-YL)METHANONE

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

M613-1184

Molecular Formula

C18H21FN4O2 (C18 H21 FN4 O2)

Compound Name

CYCLOPROPYL(4-{[3-(3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-1,4-DIAZEPAN-1-YL)METHANONE

IUPAC name

1-cyclopropanecarbonyl-4-{[3-(3-fluorophenyl)-124-oxadiazol-5-yl]methyl}-14-diazepane

SMILES

O=C(C1CC1)N1CCN(Cc2nc(-c3cccc(F)c3)no2)CCC1

InChI

InChI=1S/C18H21FN4O2/c19-15-4-1-3-14(11-15)17-20-16(25-21-17)12-22-7-2-8-23(10-9-22)18(24)13-5-6-13/h1,3-4,11,13H,2,5-10,12H2

InChI Key

TYKBNYASTUGHCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-2.92

Polar Surface Area

52.624

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M613-1184 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M613-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M613-1184?
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What is the minimum amount of M613-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M613-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M613-1184
  • 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 M613-1184 available by request