SC09-0542 Screening compound: (1-methyl-1H-imidazol-5-yl)[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

SC09-0542 Screening compound: (1-methyl-1H-imidazol-5-yl)[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
SC09-0542 Screening compound: (1-methyl-1H-imidazol-5-yl)[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0542
(1-methyl-1H-imidazol-5-yl)[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]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

SC09-0542

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

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

IUPAC name

(3S)-3-methyl-4-(1-methyl-1H-imidazole-5-carbonyl)-7-(pyridin-3-yl)-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c1cnccc1)N2C(c1cncn1C)=O

InChI

InChI=1S/C20H20N4O2/c1-14-12-26-19-6-5-15(16-4-3-7-21-9-16)8-17(19)11-24(14)20(25)18-10-22-13-23(18)2/h3-10,13-14H,11-12H2,1-2H3/t14-/m0/s1

InChI Key

ZPFBMPJKYVTCOL-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.43

Polar Surface Area

45.106

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

SC09-0542 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC09-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0542?
Check Price and Availability of SC09-0542, 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 SC09-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0542
  • 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 SC09-0542 available by request