S232-1875 Screening compound: 6-{1-[(PYRIDIN-3-YL)METHYL]-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPINE-8-CARBONYL}QUINOLINE

S232-1875 Screening compound: 6-{1-[(PYRIDIN-3-YL)METHYL]-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPINE-8-CARBONYL}QUINOLINE
S232-1875 Screening compound: 6-{1-[(PYRIDIN-3-YL)METHYL]-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPINE-8-CARBONYL}QUINOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S232-1875
6-{1-[(PYRIDIN-3-YL)METHYL]-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPINE-8-CARBONYL}QUINOLINE

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

S232-1875

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

6-{1-[(PYRIDIN-3-YL)METHYL]-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPINE-8-CARBONYL}QUINOLINE

IUPAC name

6-[(5aS9aS)-1-[(pyridin-3-yl)methyl]-decahydropyrido[34-e][14]oxazepine-8-carbonyl]quinoline

SMILES

O=C(c1cc2cccnc2cc1)N1C[C@@H]2N(Cc3cnccc3)CCOC[C@@H]2CC1

InChI

InChI=1S/C24H26N4O2/c29-24(20-5-6-22-19(13-20)4-2-9-26-22)28-10-7-21-17-30-12-11-27(23(21)16-28)15-18-3-1-8-25-14-18/h1-6,8-9,13-14,21,23H,7,10-12,15-17H2/t21-,23+/m1/s1

InChI Key

KQHQGHRJXZFRJK-GGAORHGYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.404

Distribution Coefficient, logD

1.401

Water Solubility, LogSw

-1.63

Polar Surface Area

46.755

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

S232-1875 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S232-1875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S232-1875?
Check Price and Availability of S232-1875, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S232-1875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S232-1875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S232-1875
  • 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 S232-1875 available by request