M378-0739 Screening compound: (3-chloro-4-fluorophenyl)(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)methanone

M378-0739 Screening compound: (3-chloro-4-fluorophenyl)(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)methanone
M378-0739 Screening compound: (3-chloro-4-fluorophenyl)(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0739
(3-chloro-4-fluorophenyl)(1-methyl-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

M378-0739

Molecular Formula

C19H16ClFN2O (C19 H16 ClFN2 O)

Compound Name

(3-chloro-4-fluorophenyl)(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)methanone

IUPAC name

10-(3-chloro-4-fluorobenzoyl)-3-methyl-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraene

SMILES

Cn1c2cccc(CN(CC3)C(c(cc4)cc(Cl)c4F)=O)c2c3c1

InChI

InChI=1S/C19H16ClFN2O/c1-22-10-14-7-8-23(11-13-3-2-4-17(22)18(13)14)19(24)12-5-6-16(21)15(20)9-12/h2-6,9-10H,7-8,11H2,1H3

InChI Key

CTGXOHCRZKWBQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.89

Polar Surface Area

19.439

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M378-0739 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Indole Derivatives (10091 compounds)

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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

Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M378-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0739?
Check Price and Availability of M378-0739, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M378-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0739
  • 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 M378-0739 available by request