M400-0028 Screening compound: N,4-BIS(4-FLUOROBENZYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPINE-7-CARBOXAMIDE

M400-0028 Screening compound: N,4-BIS(4-FLUOROBENZYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPINE-7-CARBOXAMIDE
M400-0028 Screening compound: N,4-BIS(4-FLUOROBENZYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPINE-7-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M400-0028
N,4-BIS(4-FLUOROBENZYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPINE-7-CARBOXAMIDE

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

M400-0028

Molecular Formula

C24H22F2N2O2 (C24 H22 F2 N2 O2)

Compound Name

N,4-BIS(4-FLUOROBENZYL)-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPINE-7-CARBOXAMIDE

IUPAC name

N4-bis[(4-fluorophenyl)methyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

O=C(c(cc1)cc2c1OCCN(Cc(cc1)ccc1F)C2)NCc(cc1)ccc1F

InChI

InChI=1S/C24H22F2N2O2/c25-21-6-1-17(2-7-21)14-27-24(29)19-5-10-23-20(13-19)16-28(11-12-30-23)15-18-3-8-22(26)9-4-18/h1-10,13H,11-12,14-16H2,(H,27,29)

InChI Key

MYIPEVGDYQWAAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.042

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.16

Polar Surface Area

36.329

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

M400-0028 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M400-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M400-0028?
Check Price and Availability of M400-0028, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M400-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M400-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M400-0028
  • 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 M400-0028 available by request