SC09-0567 Screening compound: 1-[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

SC09-0567 Screening compound: 1-[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
SC09-0567 Screening compound: 1-[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0567
1-[(3S)-3-methyl-7-(3-pyridyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

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

SC09-0567

Molecular Formula

C24H28N4O2 (C24 H28 N4 O2)

Compound Name

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

IUPAC name

1-[(3S)-3-methyl-7-(pyridin-3-yl)-2345-tetrahydro-14-benzoxazepin-4-yl]-3-(135-trimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

C[C@@H](COc(cc1)c(C2)cc1-c1cnccc1)N2C(CCc1c(C)n(C)nc1C)=O

InChI

InChI=1S/C24H28N4O2/c1-16-15-30-23-9-7-19(20-6-5-11-25-13-20)12-21(23)14-28(16)24(29)10-8-22-17(2)26-27(4)18(22)3/h5-7,9,11-13,16H,8,10,14-15H2,1-4H3/t16-/m0/s1

InChI Key

YOFXDPSJLSTDCB-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-2.96

Polar Surface Area

48.172

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SC09-0567 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC09-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0567?
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What is the minimum amount of SC09-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0567
  • 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 SC09-0567 available by request