S399-2040 Screening compound: N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

S399-2040 Screening compound: N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
S399-2040 Screening compound: N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-2040
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

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

S399-2040

Molecular Formula

C22H28N6O4S (C22 H28 N6 O4 S)

Compound Name

N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-[2-(5-phenyl-124-oxadiazol-3-yl)ethyl]-1-[(135-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

SMILES

Cc(n(C)nc1C)c1S(N(CCC1)CC1C(NCCc1noc(-c2ccccc2)n1)=O)(=O)=O

InChI

InChI=1S/C22H28N6O4S/c1-15-20(16(2)27(3)25-15)33(30,31)28-13-7-10-18(14-28)21(29)23-12-11-19-24-22(32-26-19)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,23,29)/t18-/m0/s1

InChI Key

XESGZKPQCJJUCW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29014310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.730

Distribution Coefficient, logD

0.730

Water Solubility, LogSw

-2.22

Polar Surface Area

103.645

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

S399-2040 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S399-2040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-2040?
Check Price and Availability of S399-2040, 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 S399-2040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-2040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-2040
  • 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 S399-2040 available by request