S793-0263 Screening compound: 12-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

S793-0263 Screening compound: 12-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one
S793-0263 Screening compound: 12-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-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 S793-0263
12-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-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

S793-0263

Molecular Formula

C23H34N6O3S (C23 H34 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H34N6O3S/c1-2-28-17-20(15-26-28)33(31,32)29-14-9-21-22(18-29)27(16-19-7-11-24-12-8-19)13-6-4-3-5-10-25-23(21)30/h7-8,11-12,15,17,21-22H,2-6,9-10,13-14,16,18H2,1H3,(H,25,30)/t21-,22+/m1/s1

InChI Key

HTDXZLAXJAEDCN-YADHBBJMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.439

Distribution Coefficient, logD

0.415

Water Solubility, LogSw

-2.16

Polar Surface Area

84.140

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.87

S793-0263 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 S793-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0263?
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What is the minimum amount of S793-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0263
  • 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 S793-0263 available by request