S979-0362 Screening compound: 1-[3-methyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]-2-phenoxyethan-1-one

S979-0362 Screening compound: 1-[3-methyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]-2-phenoxyethan-1-one
S979-0362 Screening compound: 1-[3-methyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S979-0362
1-[3-methyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]-2-phenoxyethan-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

S979-0362

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

1-[3-methyl-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]-2-phenoxyethan-1-one

IUPAC name

1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepin-4-yl]-2-phenoxyethan-1-one

SMILES

C[C@@H](COc(cc1)c(C2)cc1C(N1CCCC1)=O)N2C(COc1ccccc1)=O

InChI

InChI=1S/C23H26N2O4/c1-17-15-29-21-10-9-18(23(27)24-11-5-6-12-24)13-19(21)14-25(17)22(26)16-28-20-7-3-2-4-8-20/h2-4,7-10,13,17H,5-6,11-12,14-16H2,1H3/t17-/m1/s1

InChI Key

ZXDCBAXTSZHJLL-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.22

Polar Surface Area

48.600

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

S979-0362 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S979-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S979-0362?
Check Price and Availability of S979-0362, 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 S979-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S979-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S979-0362
  • 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 S979-0362 available by request