M400-0355 Screening compound: N,N-diethyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

M400-0355 Screening compound: N,N-diethyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
M400-0355 Screening compound: N,N-diethyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0355
N,N-diethyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

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

M400-0355

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

N,N-diethyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

NN-diethyl-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CCN(CC)C(N1Cc(cc(cc2)C(N3CCCC3)=O)c2OCC1)=O

InChI

InChI=1S/C19H27N3O3/c1-3-20(4-2)19(24)22-11-12-25-17-8-7-15(13-16(17)14-22)18(23)21-9-5-6-10-21/h7-8,13H,3-6,9-12,14H2,1-2H3

InChI Key

DCUTWPUAFNSOPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-2.68

Polar Surface Area

42.935

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

M400-0355 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M400-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0355?
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What is the minimum amount of M400-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0355
  • 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 M400-0355 available by request