M400-0317 Screening compound: 7-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine

M400-0317 Screening compound: 7-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
M400-0317 Screening compound: 7-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0317
7-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-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

M400-0317

Molecular Formula

C22H23F3N2O2 (C22 H23 F3 N2 O2)

Compound Name

7-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

7-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c(cc1)cc2c1OCCN(Cc1ccc(C(F)(F)F)cc1)C2)N1CCCC1

InChI

InChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-3-16(4-7-19)14-26-11-12-29-20-8-5-17(13-18(20)15-26)21(28)27-9-1-2-10-27/h3-8,13H,1-2,9-12,14-15H2

InChI Key

SURLKHJCQDOUGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-4.05

Polar Surface Area

28.929

Acid Dissociation Constant (pKa)

27.03

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with M400-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0317?
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What is the minimum amount of M400-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0317
  • 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 M400-0317 available by request