S792-0259 Screening compound: (9aS,13aS)-12-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one

S792-0259 Screening compound: (9aS,13aS)-12-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
S792-0259 Screening compound: (9aS,13aS)-12-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S792-0259
(9aS,13aS)-12-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-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

S792-0259

Molecular Formula

C27H36N4O3S (C27 H36 N4 O3 S)

Compound Name

(9aS,13aS)-12-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one

IUPAC name

(9aS13aS)-12-(23-dihydro-1H-indene-5-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(c1cc(CCC2)c2cc1)(=O)=O

InChI

InChI=1S/C27H36N4O3S/c32-27-25-12-17-31(35(33,34)24-9-8-22-6-5-7-23(22)18-24)20-26(25)30(16-4-2-1-3-13-29-27)19-21-10-14-28-15-11-21/h8-11,14-15,18,25-26H,1-7,12-13,16-17,19-20H2,(H,29,32)/t25-,26-/m0/s1

InChI Key

FKLOYWSMUCXEGM-UIOOFZCWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.33

Polar Surface Area

69.925

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S792-0259 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 S792-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S792-0259?
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What is the minimum amount of S792-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S792-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S792-0259
  • 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 S792-0259 available by request