S792-0172 Screening compound: 12-[(pyridin-3-yl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

S792-0172 Screening compound: 12-[(pyridin-3-yl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one
S792-0172 Screening compound: 12-[(pyridin-3-yl)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 S792-0172
12-[(pyridin-3-yl)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

S792-0172

Molecular Formula

C24H33N5O (C24 H33 N5 O)

Compound Name

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

IUPAC name

(9aS13aS)-12-[(pyridin-3-yl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecan-9-one

SMILES

O=C1NCCCCCCN(Cc2ccncc2)[C@@H]2[C@H]1CCN(Cc1cnccc1)C2

InChI

InChI=1S/C24H33N5O/c30-24-22-9-15-28(17-21-6-5-10-26-16-21)19-23(22)29(14-4-2-1-3-11-27-24)18-20-7-12-25-13-8-20/h5-8,10,12-13,16,22-23H,1-4,9,11,14-15,17-19H2,(H,27,30)/t22-,23+/m1/s1

InChI Key

ZEQNELORTTYOGQ-PKTZIBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.961

Distribution Coefficient, logD

0.249

Water Solubility, LogSw

-1.64

Polar Surface Area

51.178

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.17

S792-0172 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 S792-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S792-0172?
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What is the minimum amount of S792-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S792-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S792-0172
  • 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 S792-0172 available by request