M400-0316 Screening compound: 4-[(2,4-dimethoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M400-0316 Screening compound: 4-[(2,4-dimethoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M400-0316 Screening compound: 4-[(2,4-dimethoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0316
4-[(2,4-dimethoxyphenyl)methyl]-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

M400-0316

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

4-[(2,4-dimethoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-[(24-dimethoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

COc1cc(OC)c(CN2Cc(cc(cc3)C(N4CCCC4)=O)c3OCC2)cc1

InChI

InChI=1S/C23H28N2O4/c1-27-20-7-5-18(22(14-20)28-2)15-24-11-12-29-21-8-6-17(13-19(21)16-24)23(26)25-9-3-4-10-25/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3

InChI Key

XBUVPUXVAWLXRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.14

Polar Surface Area

44.104

Acid Dissociation Constant (pKa)

27.03

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

M400-0316 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M400-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0316?
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What is the minimum amount of M400-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0316
  • 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 M400-0316 available by request