S793-0163 Screening compound: 12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

S793-0163 Screening compound: 12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one
S793-0163 Screening compound: 12-[(3-methoxyphenyl)methyl]-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 S793-0163
12-[(3-methoxyphenyl)methyl]-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

S793-0163

Molecular Formula

C26H36N4O2 (C26 H36 N4 O2)

Compound Name

12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

IUPAC name

(9aR13aS)-12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecan-9-one

SMILES

COc1cccc(CN(CC[C@H]23)C[C@@H]3N(Cc3ccncc3)CCCCCCNC2=O)c1

InChI

InChI=1S/C26H36N4O2/c1-32-23-8-6-7-22(17-23)18-29-16-11-24-25(20-29)30(19-21-9-13-27-14-10-21)15-5-3-2-4-12-28-26(24)31/h6-10,13-14,17,24-25H,2-5,11-12,15-16,18-20H2,1H3,(H,28,31)/t24-,25-/m0/s1

InChI Key

YNSOUJCSAHBXET-DQEYMECFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.329

Distribution Coefficient, logD

-0.379

Water Solubility, LogSw

-2.65

Polar Surface Area

49.204

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

S793-0163 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S793-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0163?
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What is the minimum amount of S793-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0163
  • 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 S793-0163 available by request