SC09-0552 Screening compound: [(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1-phenylcyclopropyl)methanone

SC09-0552 Screening compound: [(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1-phenylcyclopropyl)methanone
SC09-0552 Screening compound: [(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1-phenylcyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0552
[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1-phenylcyclopropyl)methanone

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

SC09-0552

Molecular Formula

C25H24N2O2 (C25 H24 N2 O2)

Compound Name

[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1-phenylcyclopropyl)methanone

IUPAC name

(3S)-3-methyl-4-(1-phenylcyclopropanecarbonyl)-7-(pyridin-3-yl)-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c1cnccc1)N2C(C1(CC1)c1ccccc1)=O

InChI

InChI=1S/C25H24N2O2/c1-18-17-29-23-10-9-19(20-6-5-13-26-15-20)14-21(23)16-27(18)24(28)25(11-12-25)22-7-3-2-4-8-22/h2-10,13-15,18H,11-12,16-17H2,1H3/t18-/m0/s1

InChI Key

TZTYFHYICOTPKQ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.12

Polar Surface Area

34.112

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

SC09-0552 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC09-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0552?
Check Price and Availability of SC09-0552, 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 SC09-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0552
  • 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 SC09-0552 available by request