V017-0931 Screening compound: N-CYCLOHEXYL-4-{[5-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]METHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

V017-0931 Screening compound: N-CYCLOHEXYL-4-{[5-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]METHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE
V017-0931 Screening compound: N-CYCLOHEXYL-4-{[5-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]METHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0931
N-CYCLOHEXYL-4-{[5-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]METHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

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

V017-0931

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

N-CYCLOHEXYL-4-{[5-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]METHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c1nc(CN(CC2)CCN2C(NC2CCCCC2)=O)no1

InChI

InChI=1S/C21H29N5O2/c1-16-7-9-17(10-8-16)20-23-19(24-28-20)15-25-11-13-26(14-12-25)21(27)22-18-5-3-2-4-6-18/h7-10,18H,2-6,11-15H2,1H3,(H,22,27)

InChI Key

XNERJGXBKNGGHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14286636

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.53

Polar Surface Area

62.963

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

V017-0931 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0931?
Check Price and Availability of V017-0931, 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 V017-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0931
  • 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 V017-0931 available by request