S892-0779 Screening compound: [2-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino](4-methyl-1,3-oxazol-5-yl)methanone

S892-0779 Screening compound: [2-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino](4-methyl-1,3-oxazol-5-yl)methanone
S892-0779 Screening compound: [2-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino](4-methyl-1,3-oxazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S892-0779
[2-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino](4-methyl-1,3-oxazol-5-yl)methanone

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

S892-0779

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

[2-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino](4-methyl-1,3-oxazol-5-yl)methanone

IUPAC name

2-{1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}-1-(4-methyl-13-oxazole-5-carbonyl)piperidine

SMILES

CCn1nc(C(CCCC2)N2C(c2c(C)nco2)=O)c2c1CCOC2

InChI

InChI=1S/C18H24N4O3/c1-3-22-14-7-9-24-10-13(14)16(20-22)15-6-4-5-8-21(15)18(23)17-12(2)19-11-25-17/h11,15H,3-10H2,1-2H3/t15-/m0/s1

InChI Key

CKIKGYCKLFCFHJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31954242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.255

Distribution Coefficient, logD

1.255

Water Solubility, LogSw

-1.26

Polar Surface Area

58.007

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S892-0779 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S892-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S892-0779?
Check Price and Availability of S892-0779, 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 S892-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S892-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S892-0779
  • 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 S892-0779 available by request