V028-2058 Screening compound: 4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3-methylbenzenesulfonyl)piperidine

V028-2058 Screening compound: 4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3-methylbenzenesulfonyl)piperidine
V028-2058 Screening compound: 4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3-methylbenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2058
4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3-methylbenzenesulfonyl)piperidine

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

V028-2058

Molecular Formula

C21H31N3O2S (C21 H31 N3 O2 S)

Compound Name

4-[3,5-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3-methylbenzenesulfonyl)piperidine

IUPAC name

4-[35-bis(propan-2-yl)-1H-pyrazol-1-yl]-1-(3-methylbenzenesulfonyl)piperidine

SMILES

CC(C)c1cc(C(C)C)nn1C(CC1)CCN1S(c1cc(C)ccc1)(=O)=O

InChI

InChI=1S/C21H31N3O2S/c1-15(2)20-14-21(16(3)4)24(22-20)18-9-11-23(12-10-18)27(25,26)19-8-6-7-17(5)13-19/h6-8,13-16,18H,9-12H2,1-5H3

InChI Key

JEQVXHNEPWZRJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959948

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.66

Polar Surface Area

44.685

Acid Dissociation Constant (pKa)

25.00

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

V028-2058 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V028-2058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2058?
Check Price and Availability of V028-2058, 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 V028-2058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2058
  • 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 V028-2058 available by request