D676-1233 Screening compound: 1-cyclohexanecarbonyl-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

D676-1233 Screening compound: 1-cyclohexanecarbonyl-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine
D676-1233 Screening compound: 1-cyclohexanecarbonyl-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-1233
1-cyclohexanecarbonyl-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

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

D676-1233

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

1-cyclohexanecarbonyl-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

IUPAC name

1-cyclohexanecarbonyl-4-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}piperazine

SMILES

Cc(cc1)ccc1-c1nc(CN(CC2)CCN2C(C2CCCCC2)=O)no1

InChI

InChI=1S/C21H28N4O2/c1-16-7-9-17(10-8-16)20-22-19(23-27-20)15-24-11-13-25(14-12-24)21(26)18-5-3-2-4-6-18/h7-10,18H,2-6,11-15H2,1H3

InChI Key

NZMPYUZQPUNPSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.34

Polar Surface Area

53.287

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D676-1233 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D676-1233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-1233?
Check Price and Availability of D676-1233, 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 D676-1233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-1233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-1233
  • 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 D676-1233 available by request