S792-0261 Screening compound: 12-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

S792-0261 Screening compound: 12-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one
S792-0261 Screening compound: 12-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S792-0261
12-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-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

S792-0261

Molecular Formula

C26H34N4O5S (C26 H34 N4 O5 S)

Compound Name

12-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

IUPAC name

(9aS13aS)-12-(23-dihydro-14-benzodioxine-6-sulfonyl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecan-9-one

SMILES

O=C1NCCCCCCN(Cc2ccncc2)[C@@H](C2)[C@H]1CCN2S(c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C26H34N4O5S/c31-26-22-9-14-30(36(32,33)21-5-6-24-25(17-21)35-16-15-34-24)19-23(22)29(13-4-2-1-3-10-28-26)18-20-7-11-27-12-8-20/h5-8,11-12,17,22-23H,1-4,9-10,13-16,18-19H2,(H,28,31)/t22-,23-/m0/s1

InChI Key

RXWWMAAUHHWKCY-GOTSBHOMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.028

Distribution Coefficient, logD

1.003

Water Solubility, LogSw

-2.34

Polar Surface Area

85.462

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

S792-0261 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S792-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S792-0261?
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What is the minimum amount of S792-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S792-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S792-0261
  • 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 S792-0261 available by request