M250-0076 Screening compound: 4-(4-acetylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M250-0076 Screening compound: 4-(4-acetylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M250-0076 Screening compound: 4-(4-acetylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M250-0076
4-(4-acetylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-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

M250-0076

Molecular Formula

C26H26N2O5S (C26 H26 N2 O5 S)

Compound Name

4-(4-acetylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

4-(4-acetylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

CC(c(cc1)ccc1S(N1Cc(cc(cc2)C(NCc3ccc(C)cc3)=O)c2OCC1)(=O)=O)=O

InChI

InChI=1S/C26H26N2O5S/c1-18-3-5-20(6-4-18)16-27-26(30)22-9-12-25-23(15-22)17-28(13-14-33-25)34(31,32)24-10-7-21(8-11-24)19(2)29/h3-12,15H,13-14,16-17H2,1-2H3,(H,27,30)

InChI Key

GHRMHWYRRZNKAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.80

Polar Surface Area

78.134

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

M250-0076 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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 M250-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M250-0076?
Check Price and Availability of M250-0076, 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 M250-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M250-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M250-0076
  • 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 M250-0076 available by request