S399-1946 Screening compound: N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

S399-1946 Screening compound: N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
S399-1946 Screening compound: N-{2-[5-(pyridin-4-yl)-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 S399-1946
N-{2-[5-(pyridin-4-yl)-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

S399-1946

Molecular Formula

C21H27N7O4S (C21 H27 N7 O4 S)

Compound Name

N-{2-[5-(pyridin-4-yl)-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-(pyridin-4-yl)-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(-c2ccncc2)n1)=O)(=O)=O

InChI

InChI=1S/C21H27N7O4S/c1-14-19(15(2)27(3)25-14)33(30,31)28-12-4-5-17(13-28)20(29)23-11-8-18-24-21(32-26-18)16-6-9-22-10-7-16/h6-7,9-10,17H,4-5,8,11-13H2,1-3H3,(H,23,29)/t17-/m0/s1

InChI Key

LJFIWEATBSYMSV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31960433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.414

Distribution Coefficient, logD

-0.415

Water Solubility, LogSw

-1.68

Polar Surface Area

113.073

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

S399-1946 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S399-1946 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S399-1946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1946
  • 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 S399-1946 available by request