S793-0175 Screening compound: 12-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

S793-0175 Screening compound: 12-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one
S793-0175 Screening compound: 12-[(1-methyl-1H-pyrrol-2-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 S793-0175
12-[(1-methyl-1H-pyrrol-2-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

S793-0175

Molecular Formula

C24H35N5O (C24 H35 N5 O)

Compound Name

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

IUPAC name

(9aR13aS)-12-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecan-9-one

SMILES

Cn1c(CN(CC[C@H]23)C[C@@H]3N(Cc3ccncc3)CCCCCCNC2=O)ccc1

InChI

InChI=1S/C24H35N5O/c1-27-14-6-7-21(27)18-28-16-10-22-23(19-28)29(17-20-8-12-25-13-9-20)15-5-3-2-4-11-26-24(22)30/h6-9,12-14,22-23H,2-5,10-11,15-19H2,1H3,(H,26,30)/t22-,23-/m0/s1

InChI Key

RBOCJENVMHXBFV-GOTSBHOMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

0.922

Water Solubility, LogSw

-2.24

Polar Surface Area

44.558

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.33

S793-0175 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 S793-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0175?
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What is the minimum amount of S793-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0175
  • 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 S793-0175 available by request