S793-0127 Screening compound: (9AR,13AS)-12-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-1-(4-PYRIDYLMETHYL)TETRADECAHYDRO-9H-PYRIDO[3,4-B][1,5]DIAZACYCLOUNDECIN-9-ONE

S793-0127 Screening compound: (9AR,13AS)-12-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-1-(4-PYRIDYLMETHYL)TETRADECAHYDRO-9H-PYRIDO[3,4-B][1,5]DIAZACYCLOUNDECIN-9-ONE
S793-0127 Screening compound: (9AR,13AS)-12-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-1-(4-PYRIDYLMETHYL)TETRADECAHYDRO-9H-PYRIDO[3,4-B][1,5]DIAZACYCLOUNDECIN-9-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S793-0127
(9AR,13AS)-12-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-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

S793-0127

Molecular Formula

C24H34N6O2 (C24 H34 N6 O2)

Compound Name

(9AR,13AS)-12-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-1-(4-PYRIDYLMETHYL)TETRADECAHYDRO-9H-PYRIDO[3,4-B][1,5]DIAZACYCLOUNDECIN-9-ONE

IUPAC name

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

SMILES

CCn(cc1)nc1C(N(CC[C@H]12)C[C@@H]2N(Cc2ccncc2)CCCCCCNC1=O)=O

InChI

InChI=1S/C24H34N6O2/c1-2-30-16-10-21(27-30)24(32)29-15-9-20-22(18-29)28(17-19-7-12-25-13-8-19)14-6-4-3-5-11-26-23(20)31/h7-8,10,12-13,16,20,22H,2-6,9,11,14-15,17-18H2,1H3,(H,26,31)/t20-,22-/m0/s1

InChI Key

DOCGFFIBIOVHPN-UNMCSNQZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.691

Distribution Coefficient, logD

0.667

Water Solubility, LogSw

-1.67

Polar Surface Area

68.961

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.33

S793-0127 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S793-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0127?
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What is the minimum amount of S793-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0127
  • 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 S793-0127 available by request