M400-0361 Screening compound: 4-(5-methylpyridine-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M400-0361 Screening compound: 4-(5-methylpyridine-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M400-0361 Screening compound: 4-(5-methylpyridine-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0361
4-(5-methylpyridine-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

M400-0361

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

4-(5-methylpyridine-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(5-methylpyridine-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

Cc1cc(C(N2Cc(cc(cc3)C(N4CCCC4)=O)c3OCC2)=O)cnc1

InChI

InChI=1S/C21H23N3O3/c1-15-10-17(13-22-12-15)21(26)24-8-9-27-19-5-4-16(11-18(19)14-24)20(25)23-6-2-3-7-23/h4-5,10-13H,2-3,6-9,14H2,1H3

InChI Key

DPZOGVMTXZYZHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-1.89

Polar Surface Area

51.453

Acid Dissociation Constant (pKa)

25.94

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M400-0361 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M400-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0361?
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What is the minimum amount of M400-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0361
  • 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 M400-0361 available by request