S629-1383 Screening compound: 3-[4-(2-phenoxyacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

S629-1383 Screening compound: 3-[4-(2-phenoxyacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
S629-1383 Screening compound: 3-[4-(2-phenoxyacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1383
3-[4-(2-phenoxyacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

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

S629-1383

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

3-[4-(2-phenoxyacetyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

IUPAC name

3-[4-(2-phenoxyacetyl)-2345-tetrahydro-14-benzoxazepin-7-yl]propanamide

SMILES

NC(CCc(cc1)cc(C2)c1OCCN2C(COc1ccccc1)=O)=O

InChI

InChI=1S/C20H22N2O4/c21-19(23)9-7-15-6-8-18-16(12-15)13-22(10-11-25-18)20(24)14-26-17-4-2-1-3-5-17/h1-6,8,12H,7,9-11,13-14H2,(H2,21,23)

InChI Key

KSQZUUFXGNQADR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.770

Distribution Coefficient, logD

1.770

Water Solubility, LogSw

-2.22

Polar Surface Area

65.191

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S629-1383 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S629-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1383?
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What is the minimum amount of S629-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1383
  • 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 S629-1383 available by request