S793-0199 Screening compound: (9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one

S793-0199 Screening compound: (9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
S793-0199 Screening compound: (9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S793-0199
(9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-yl)methyl]-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

S793-0199

Molecular Formula

C24H36N6O (C24 H36 N6 O)

Compound Name

(9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one

IUPAC name

n/a

SMILES

CCn1ncc(CN(CC[C@H]23)C[C@@H]3N(Cc3ccncc3)CCCCCCNC2=O)c1

InChI

InChI=1S/C24H36N6O/c1-2-30-18-21(15-27-30)16-28-14-9-22-23(19-28)29(17-20-7-11-25-12-8-20)13-6-4-3-5-10-26-24(22)31/h7-8,11-12,15,18,22-23H,2-6,9-10,13-14,16-17,19H2,1H3,(H,26,31)/t22-,23-/m0/s1

InChI Key

ASZIMZCIMWLEAT-GOTSBHOMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.797

Distribution Coefficient, logD

-5.108

Water Solubility, LogSw

-1.68

Polar Surface Area

56.162

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

13.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S793-0199 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S793-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0199?
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What is the minimum amount of S793-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0199
  • 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 S793-0199 available by request