S979-0266 Screening compound: N-(2-methoxyethyl)-3-methyl-4-[2-(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

S979-0266 Screening compound: N-(2-methoxyethyl)-3-methyl-4-[2-(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
S979-0266 Screening compound: N-(2-methoxyethyl)-3-methyl-4-[2-(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S979-0266
N-(2-methoxyethyl)-3-methyl-4-[2-(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

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

S979-0266

Molecular Formula

C20H29N3O5 (C20 H29 N3 O5)

Compound Name

N-(2-methoxyethyl)-3-methyl-4-[2-(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

(3S)-N-(2-methoxyethyl)-3-methyl-4-[2-(morpholin-4-yl)acetyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

C[C@@H](COc(cc1)c(C2)cc1C(NCCOC)=O)N2C(CN1CCOCC1)=O

InChI

InChI=1S/C20H29N3O5/c1-15-14-28-18-4-3-16(20(25)21-5-8-26-2)11-17(18)12-23(15)19(24)13-22-6-9-27-10-7-22/h3-4,11,15H,5-10,12-14H2,1-2H3,(H,21,25)/t15-/m1/s1

InChI Key

JPIVQGORMARQDZ-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.481

Distribution Coefficient, logD

0.480

Water Solubility, LogSw

-2.08

Polar Surface Area

68.868

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S979-0266 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S979-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S979-0266?
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What is the minimum amount of S979-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S979-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S979-0266
  • 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 S979-0266 available by request