S793-0209 Screening compound: N-(2-fluorophenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide

S793-0209 Screening compound: N-(2-fluorophenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide
S793-0209 Screening compound: N-(2-fluorophenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S793-0209
N-(2-fluorophenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide

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

S793-0209

Molecular Formula

C25H32FN5O2 (C25 H32 FN5 O2)

Compound Name

N-(2-fluorophenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecane-12-carboxamide

IUPAC name

(9aR13aS)-N-(2-fluorophenyl)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecane-12-carboxamide

SMILES

O=C(Nc(cccc1)c1F)N(CC[C@@H]12)C[C@@H]2N(Cc2ccncc2)CCCCCCNC1=O

InChI

InChI=1S/C25H32FN5O2/c26-21-7-3-4-8-22(21)29-25(33)31-16-11-20-23(18-31)30(17-19-9-13-27-14-10-19)15-6-2-1-5-12-28-24(20)32/h3-4,7-10,13-14,20,23H,1-2,5-6,11-12,15-18H2,(H,28,32)(H,29,33)/t20-,23+/m1/s1

InChI Key

DSKXPSQDHQIUDK-OFNKIYASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.110

Water Solubility, LogSw

-2.77

Polar Surface Area

62.699

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

S793-0209 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 S793-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0209?
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What is the minimum amount of S793-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0209
  • 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 S793-0209 available by request