M014-0401 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one

M014-0401 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one
M014-0401 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M014-0401
8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one

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

M014-0401

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

6-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-9-ethyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCN(c(cc(cc1)C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)c1Oc1c2cccc1)C2=O

InChI

InChI=1S/C28H29N3O3/c1-4-31-24-18-21(11-12-26(24)34-25-8-6-5-7-22(25)28(31)33)27(32)30-15-13-29(14-16-30)23-17-19(2)9-10-20(23)3/h5-12,17-18H,4,13-16H2,1-3H3

InChI Key

YOKPMEVXJJFFCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.823

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.53

Polar Surface Area

42.169

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M014-0401 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M014-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M014-0401?
Check Price and Availability of M014-0401, 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 M014-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M014-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M014-0401
  • 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 M014-0401 available by request