S978-0263 Screening compound: 1-{3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-phenylpropan-1-one

S978-0263 Screening compound: 1-{3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-phenylpropan-1-one
S978-0263 Screening compound: 1-{3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S978-0263
1-{3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-phenylpropan-1-one

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

S978-0263

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

1-{3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-phenylpropan-1-one

IUPAC name

1-[(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-2345-tetrahydro-14-benzoxazepin-4-yl]-3-phenylpropan-1-one

SMILES

C[C@@H](COc1c(C2)cc(CN3CCOCC3)cc1)N2C(CCc1ccccc1)=O

InChI

InChI=1S/C24H30N2O3/c1-19-18-29-23-9-7-21(16-25-11-13-28-14-12-25)15-22(23)17-26(19)24(27)10-8-20-5-3-2-4-6-20/h2-7,9,15,19H,8,10-14,16-18H2,1H3/t19-/m0/s1

InChI Key

CMGWAHFCPOTOLJ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.439

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.63

Polar Surface Area

35.728

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

S978-0263 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S978-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S978-0263?
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What is the minimum amount of S978-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S978-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S978-0263
  • 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 S978-0263 available by request