S399-1929 Screening compound: 1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

S399-1929 Screening compound: 1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide
S399-1929 Screening compound: 1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1929
1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-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

S399-1929

Molecular Formula

C27H30N6O3 (C27 H30 N6 O3)

Compound Name

1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

IUPAC name

1-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}-N-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

SMILES

Cc1c(CN(CC2)CCC2C(NCCc2noc(-c3ccncc3)n2)=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C27H30N6O3/c1-18-3-5-21(6-4-18)26-30-23(19(2)35-26)17-33-15-10-20(11-16-33)25(34)29-14-9-24-31-27(36-32-24)22-7-12-28-13-8-22/h3-8,12-13,20H,9-11,14-17H2,1-2H3,(H,29,34)

InChI Key

PWRIZJQUAFVIRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

1.852

Water Solubility, LogSw

-2.92

Polar Surface Area

88.444

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

References: we are preparing a list of scientific research reports with S399-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S399-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1929
  • 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 S399-1929 available by request