M012-0779 Screening compound: 7-[(benzyloxy)methyl]-4-(3-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M012-0779 Screening compound: 7-[(benzyloxy)methyl]-4-(3-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M012-0779 Screening compound: 7-[(benzyloxy)methyl]-4-(3-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M012-0779
7-[(benzyloxy)methyl]-4-(3-methylbenzenesulfonyl)-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

M012-0779

Molecular Formula

C24H25NO4S (C24 H25 NO4 S)

Compound Name

7-[(benzyloxy)methyl]-4-(3-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

7-[(benzyloxy)methyl]-4-(3-methylbenzenesulfonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

Cc1cccc(S(N2Cc(cc(COCc3ccccc3)cc3)c3OCC2)(=O)=O)c1

InChI

InChI=1S/C24H25NO4S/c1-19-6-5-9-23(14-19)30(26,27)25-12-13-29-24-11-10-21(15-22(24)16-25)18-28-17-20-7-3-2-4-8-20/h2-11,14-15H,12-13,16-18H2,1H3

InChI Key

CWGFEPOUUMRFDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.80

Polar Surface Area

48.056

Acid Dissociation Constant (pKa)

25.89

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M012-0779 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M012-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M012-0779?
Check Price and Availability of M012-0779, 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 M012-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M012-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M012-0779
  • 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 M012-0779 available by request