SA16-0792 Screening compound: 2-CYCLOHEXYL-1-(4-{5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-1,3,4-OXADIAZOL-2-YL}PIPERIDINO)-1-ETHANONE

SA16-0792 Screening compound: 2-CYCLOHEXYL-1-(4-{5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-1,3,4-OXADIAZOL-2-YL}PIPERIDINO)-1-ETHANONE
SA16-0792 Screening compound: 2-CYCLOHEXYL-1-(4-{5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-1,3,4-OXADIAZOL-2-YL}PIPERIDINO)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA16-0792
2-CYCLOHEXYL-1-(4-{5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-1,3,4-OXADIAZOL-2-YL}PIPERIDINO)-1-ETHANONE

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

SA16-0792

Molecular Formula

C21H32N4O3 (C21 H32 N4 O3)

Compound Name

2-CYCLOHEXYL-1-(4-{5-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-1,3,4-OXADIAZOL-2-YL}PIPERIDINO)-1-ETHANONE

IUPAC name

2-{5-[1-(2-cyclohexylacetyl)piperidin-4-yl]-134-oxadiazol-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(Cc1nnc(C(CC2)CCN2C(CC2CCCCC2)=O)o1)N1CCCC1

InChI

InChI=1S/C21H32N4O3/c26-19(14-16-6-2-1-3-7-16)25-12-8-17(9-13-25)21-23-22-18(28-21)15-20(27)24-10-4-5-11-24/h16-17H,1-15H2

InChI Key

WTBVRSAYCVFJSI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.23

Polar Surface Area

63.220

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.95

SA16-0792 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA16-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA16-0792?
Check Price and Availability of SA16-0792, 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 SA16-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA16-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA16-0792
  • 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 SA16-0792 available by request