M378-0553 Screening compound: (3,4-difluorophenyl)[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]methanone

M378-0553 Screening compound: (3,4-difluorophenyl)[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]methanone
M378-0553 Screening compound: (3,4-difluorophenyl)[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0553
(3,4-difluorophenyl)[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-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

M378-0553

Molecular Formula

C21H20F2N2O2 (C21 H20 F2 N2 O2)

Compound Name

(3,4-difluorophenyl)[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]methanone

IUPAC name

10-(34-difluorobenzoyl)-3-(2-methoxyethyl)-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraene

SMILES

COCCn1c2cccc(CN(CC3)C(c(cc4)cc(F)c4F)=O)c2c3c1

InChI

InChI=1S/C21H20F2N2O2/c1-27-10-9-24-12-16-7-8-25(13-15-3-2-4-19(24)20(15)16)21(26)14-5-6-17(22)18(23)11-14/h2-6,11-12H,7-10,13H2,1H3

InChI Key

BNQJJXBNKWCTPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.40

Polar Surface Area

27.204

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M378-0553 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Bromodomain Modulators Library (5801 compounds)

Indole Derivatives (10091 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M378-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0553?
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What is the minimum amount of M378-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0553
  • 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 M378-0553 available by request