SC09-0419 Screening compound: (3S)-3-methyl-4-(3-phenylpropyl)-7-(4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0419 Screening compound: (3S)-3-methyl-4-(3-phenylpropyl)-7-(4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0419 Screening compound: (3S)-3-methyl-4-(3-phenylpropyl)-7-(4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0419
(3S)-3-methyl-4-(3-phenylpropyl)-7-(4-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

SC09-0419

Molecular Formula

C24H26N2O (C24 H26 N2 O)

Compound Name

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

IUPAC name

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

SMILES

C[C@@H]1N(CCCc2ccccc2)Cc(cc(cc2)-c3ccncc3)c2OC1

InChI

InChI=1S/C24H26N2O/c1-19-18-27-24-10-9-22(21-11-13-25-14-12-21)16-23(24)17-26(19)15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,19H,5,8,15,17-18H2,1H3/t19-/m0/s1

InChI Key

RUPHOXZXDUOUAU-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.207

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-5.17

Polar Surface Area

20.999

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

SC09-0419 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SC09-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0419?
Check Price and Availability of SC09-0419, 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 SC09-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0419
  • 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 SC09-0419 available by request