S793-0217 Screening compound: N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide

S793-0217 Screening compound: N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide
S793-0217 Screening compound: N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S793-0217
N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-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

S793-0217

Molecular Formula

C27H37N5O3 (C27 H37 N5 O3)

Compound Name

N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide

IUPAC name

(9aR13aS)-N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecane-12-carboxamide

SMILES

CCOc(cccc1)c1NC(N(CC[C@H]12)C[C@@H]2N(Cc2ccncc2)CCCCCCNC1=O)=O

InChI

InChI=1S/C27H37N5O3/c1-2-35-25-10-6-5-9-23(25)30-27(34)32-18-13-22-24(20-32)31(19-21-11-15-28-16-12-21)17-8-4-3-7-14-29-26(22)33/h5-6,9-12,15-16,22,24H,2-4,7-8,13-14,17-20H2,1H3,(H,29,33)(H,30,34)/t22-,24-/m0/s1

InChI Key

VPOYPZRRDZLLQF-UPVQGACJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-2.93

Polar Surface Area

69.909

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.85

S793-0217 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 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:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S793-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0217?
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What is the minimum amount of S793-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0217
  • 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 S793-0217 available by request