M400-0319 Screening compound: 4-[(3,4-difluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M400-0319 Screening compound: 4-[(3,4-difluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M400-0319 Screening compound: 4-[(3,4-difluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0319
4-[(3,4-difluorophenyl)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

M400-0319

Molecular Formula

C21H22F2N2O2 (C21 H22 F2 N2 O2)

Compound Name

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

IUPAC name

4-[(34-difluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c(cc1)cc2c1OCCN(Cc(cc1)cc(F)c1F)C2)N1CCCC1

InChI

InChI=1S/C21H22F2N2O2/c22-18-5-3-15(11-19(18)23)13-24-9-10-27-20-6-4-16(12-17(20)14-24)21(26)25-7-1-2-8-25/h3-6,11-12H,1-2,7-10,13-14H2

InChI Key

RKKVWVXRYJDIKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.18

Polar Surface Area

28.929

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M400-0319 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M400-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0319?
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What is the minimum amount of M400-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0319
  • 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 M400-0319 available by request