SC09-0576 Screening compound: (1,5-dimethyl-1H-pyrazol-3-yl)[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

SC09-0576 Screening compound: (1,5-dimethyl-1H-pyrazol-3-yl)[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
SC09-0576 Screening compound: (1,5-dimethyl-1H-pyrazol-3-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 SC09-0576
(1,5-dimethyl-1H-pyrazol-3-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

SC09-0576

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

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

IUPAC name

(3S)-4-(15-dimethyl-1H-pyrazole-3-carbonyl)-3-methyl-7-(pyridin-3-yl)-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c1cnccc1)N2C(c1nn(C)c(C)c1)=O

InChI

InChI=1S/C21H22N4O2/c1-14-9-19(23-24(14)3)21(26)25-12-18-10-16(17-5-4-8-22-11-17)6-7-20(18)27-13-15(25)2/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1

InChI Key

FFOQMKRGQGIWQS-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

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

2.618

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-2.51

Polar Surface Area

48.347

Acid Dissociation Constant (pKa)

26.21

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

SC09-0576 in Drug Discovery

Included in Screening Libraries

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 SC09-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0576?
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What is the minimum amount of SC09-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0576
  • 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 SC09-0576 available by request