M400-0403 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M400-0403 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M400-0403 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0403
4-[(3,5-dimethyl-1,2-oxazol-4-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

M400-0403

Molecular Formula

C20H25N3O3 (C20 H25 N3 O3)

Compound Name

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

IUPAC name

4-[(35-dimethyl-12-oxazol-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

Cc1noc(C)c1CN1Cc(cc(cc2)C(N3CCCC3)=O)c2OCC1

InChI

InChI=1S/C20H25N3O3/c1-14-18(15(2)26-21-14)13-22-9-10-25-19-6-5-16(11-17(19)12-22)20(24)23-7-3-4-8-23/h5-6,11H,3-4,7-10,12-13H2,1-2H3

InChI Key

XTOSTUVGWPPIAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

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

2.153

Distribution Coefficient, logD

1.096

Water Solubility, LogSw

-2.61

Polar Surface Area

50.968

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M400-0403 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M400-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0403?
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What is the minimum amount of M400-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0403
  • 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 M400-0403 available by request