S792-0178 Screening compound: 12-[(3-fluoro-2-hydroxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

S792-0178 Screening compound: 12-[(3-fluoro-2-hydroxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one
S792-0178 Screening compound: 12-[(3-fluoro-2-hydroxyphenyl)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 S792-0178
12-[(3-fluoro-2-hydroxyphenyl)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

S792-0178

Molecular Formula

C25H33FN4O2 (C25 H33 FN4 O2)

Compound Name

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

IUPAC name

(9aS13aS)-12-[(3-fluoro-2-hydroxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecan-9-one

SMILES

Oc(c(CN(CC[C@H]12)C[C@@H]2N(Cc2ccncc2)CCCCCCNC1=O)ccc1)c1F

InChI

InChI=1S/C25H33FN4O2/c26-22-7-5-6-20(24(22)31)17-29-15-10-21-23(18-29)30(16-19-8-12-27-13-9-19)14-4-2-1-3-11-28-25(21)32/h5-9,12-13,21,23,31H,1-4,10-11,14-18H2,(H,28,32)/t21-,23-/m0/s1

InChI Key

GPMAMYDADYHZQM-GMAHTHKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-2.61

Polar Surface Area

57.139

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

S792-0178 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 S792-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S792-0178?
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What is the minimum amount of S792-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S792-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S792-0178
  • 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 S792-0178 available by request