SC09-0592 Screening compound: (3S)-4-cyclopentyl-3-methyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0592 Screening compound: (3S)-4-cyclopentyl-3-methyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0592 Screening compound: (3S)-4-cyclopentyl-3-methyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0592
(3S)-4-cyclopentyl-3-methyl-7-(3-pyridyl)-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

SC09-0592

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

(3S)-4-cyclopentyl-3-methyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

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

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c1cnccc1)N2C1CCCC1

InChI

InChI=1S/C20H24N2O/c1-15-14-23-20-9-8-16(17-5-4-10-21-12-17)11-18(20)13-22(15)19-6-2-3-7-19/h4-5,8-12,15,19H,2-3,6-7,13-14H2,1H3/t15-/m0/s1

InChI Key

BGVXDABWRZSAIW-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-4.05

Polar Surface Area

20.863

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SC09-0592 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with SC09-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0592?
Check Price and Availability of SC09-0592, 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 SC09-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0592
  • 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 SC09-0592 available by request