M400-0428 Screening compound: 4-[(furan-3-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M400-0428 Screening compound: 4-[(furan-3-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M400-0428 Screening compound: 4-[(furan-3-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0428
4-[(furan-3-yl)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

M400-0428

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

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

IUPAC name

4-[(furan-3-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c(cc1)cc2c1OCCN(Cc1cocc1)C2)N1CCCC1

InChI

InChI=1S/C19H22N2O3/c22-19(21-6-1-2-7-21)16-3-4-18-17(11-16)13-20(8-10-24-18)12-15-5-9-23-14-15/h3-5,9,11,14H,1-2,6-8,10,12-13H2

InChI Key

PTXMVGAFAWFSDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-2.73

Polar Surface Area

36.733

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

M400-0428 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M400-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0428?
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What is the minimum amount of M400-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0428
  • 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 M400-0428 available by request