S576-0929 Screening compound: 5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-(2-methoxyethyl)-3(2H)-pyridazinone

S576-0929 Screening compound: 5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-(2-methoxyethyl)-3(2H)-pyridazinone
S576-0929 Screening compound: 5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-(2-methoxyethyl)-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound S576-0929
5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-(2-methoxyethyl)-3(2H)-pyridazinone

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

S576-0929

Molecular Formula

C29H32N6O4 (C29 H32 N6 O4)

Compound Name

5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-(2-methoxyethyl)-3(2H)-pyridazinone

IUPAC name

2-(2-methoxyethyl)-5-[3-(4-{2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}piperazine-1-carbonyl)pyrrolidin-1-yl]-23-dihydropyridazin-3-one

SMILES

COCCN1N=CC(N(CC2)CC2C(N(CC2)CCN2C2=Nc(cccc3)c3Oc3c2cccc3)=O)=CC1=O

InChI

InChI=1S/C29H32N6O4/c1-38-17-16-35-27(36)18-22(19-30-35)34-11-10-21(20-34)29(37)33-14-12-32(13-15-33)28-23-6-2-4-8-25(23)39-26-9-5-3-7-24(26)31-28/h2-9,18-19,21H,10-17,20H2,1H3/t21-/m1/s1

InChI Key

DKMPBRWIYNKJIV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31974201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.107

Distribution Coefficient, logD

1.739

Water Solubility, LogSw

-3.00

Polar Surface Area

75.865

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.93

S576-0929 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S576-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S576-0929?
Check Price and Availability of S576-0929, 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 S576-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S576-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S576-0929
  • 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 S576-0929 available by request