S576-0755 Screening compound: 5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-methyl-3(2H)-pyridazinone

S576-0755 Screening compound: 5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-methyl-3(2H)-pyridazinone
S576-0755 Screening compound: 5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-methyl-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound S576-0755
5-{3-[(4-dibenzo[b,f][1,4]oxazepin-11-ylpiperazino)carbonyl]-1-pyrrolidinyl}-2-methyl-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

S576-0755

Molecular Formula

C27H28N6O3 (C27 H28 N6 O3)

Compound Name

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

IUPAC name

2-methyl-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

CN1N=CC(N(CC2)CC2C(N(CC2)CCN2C2=Nc(cccc3)c3Oc3c2cccc3)=O)=CC1=O

InChI

InChI=1S/C27H28N6O3/c1-30-25(34)16-20(17-28-30)33-11-10-19(18-33)27(35)32-14-12-31(13-15-32)26-21-6-2-4-8-23(21)36-24-9-5-3-7-22(24)29-26/h2-9,16-17,19H,10-15,18H2,1H3/t19-/m1/s1

InChI Key

GDAHGAYSGDUPDB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31975089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

1.819

Water Solubility, LogSw

-2.95

Polar Surface Area

67.223

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S576-0755 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 S576-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S576-0755?
Check Price and Availability of S576-0755, 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 S576-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S576-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S576-0755
  • 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 S576-0755 available by request