S232-1683 Screening compound: 1-ETHYL-4-({1-METHYL-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8-YL}SULFONYL)-1H-PYRAZOLE

S232-1683 Screening compound: 1-ETHYL-4-({1-METHYL-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8-YL}SULFONYL)-1H-PYRAZOLE
S232-1683 Screening compound: 1-ETHYL-4-({1-METHYL-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8-YL}SULFONYL)-1H-PYRAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S232-1683
1-ETHYL-4-({1-METHYL-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8-YL}SULFONYL)-1H-PYRAZOLE

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

S232-1683

Molecular Formula

C14H24N4O3S (C14 H24 N4 O3 S)

Compound Name

1-ETHYL-4-({1-METHYL-DECAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8-YL}SULFONYL)-1H-PYRAZOLE

IUPAC name

n/a

SMILES

CCn1ncc(S(N2C[C@@H]3N(C)CCOC[C@@H]3CC2)(=O)=O)c1

InChI

InChI=1S/C14H24N4O3S/c1-3-17-9-13(8-15-17)22(19,20)18-5-4-12-11-21-7-6-16(2)14(12)10-18/h8-9,12,14H,3-7,10-11H2,1-2H3/t12-,14+/m1/s1

InChI Key

JTWYHWMAVHUNBS-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.310

Distribution Coefficient, logD

-0.339

Water Solubility, LogSw

-0.98

Polar Surface Area

58.025

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.60

S232-1683 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S232-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S232-1683?
Check Price and Availability of S232-1683, 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 S232-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S232-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S232-1683
  • 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 S232-1683 available by request