SC09-0488 Screening compound: (3S)-4-isobutyl-3-methyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0488 Screening compound: (3S)-4-isobutyl-3-methyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0488 Screening compound: (3S)-4-isobutyl-3-methyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0488
(3S)-4-isobutyl-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

SC09-0488

Molecular Formula

C19H24N2O (C19 H24 N2 O)

Compound Name

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

IUPAC name

(3S)-3-methyl-4-(2-methylpropyl)-7-(pyridin-3-yl)-2345-tetrahydro-14-benzoxazepine

SMILES

CC(C)CN(C1)[C@@H](C)COc(cc2)c1cc2-c1cnccc1

InChI

InChI=1S/C19H24N2O/c1-14(2)11-21-12-18-9-16(17-5-4-8-20-10-17)6-7-19(18)22-13-15(21)3/h4-10,14-15H,11-13H2,1-3H3/t15-/m0/s1

InChI Key

UGSCCJJQFGETAU-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.90

Polar Surface Area

21.382

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SC09-0488 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC09-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0488?
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What is the minimum amount of SC09-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0488
  • 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 SC09-0488 available by request