S232-1572 Screening compound: 4-{1-methyl-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole

S232-1572 Screening compound: 4-{1-methyl-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole
S232-1572 Screening compound: 4-{1-methyl-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S232-1572
4-{1-methyl-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole

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

S232-1572

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

4-{1-methyl-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole

IUPAC name

4-[(5aS9aS)-1-methyl-decahydropyrido[34-e][14]oxazepine-8-carbonyl]-1H-indole

SMILES

CN1[C@@H](CN(CC2)C(c3c(cc[nH]4)c4ccc3)=O)[C@@H]2COCC1

InChI

InChI=1S/C18H23N3O2/c1-20-9-10-23-12-13-6-8-21(11-17(13)20)18(22)15-3-2-4-16-14(15)5-7-19-16/h2-5,7,13,17,19H,6,8-12H2,1H3/t13-,17+/m1/s1

InChI Key

CJMUPZFJCAPCIA-DYVFJYSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.142

Distribution Coefficient, logD

1.012

Water Solubility, LogSw

-2.08

Polar Surface Area

38.242

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S232-1572 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
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 S232-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S232-1572?
Check Price and Availability of S232-1572, 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 S232-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S232-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S232-1572
  • 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 S232-1572 available by request