S259-4146 Screening compound: N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-4-methoxy-2-methylbenzamide

S259-4146 Screening compound: N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-4-methoxy-2-methylbenzamide
S259-4146 Screening compound: N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-4-methoxy-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4146
N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-4-methoxy-2-methylbenzamide

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

S259-4146

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-4-methoxy-2-methylbenzamide

IUPAC name

N-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]piperidin-4-yl}-4-methoxy-2-methylbenzamide

SMILES

Cc1noc(C)c1CN(CC1)CCC1NC(c(cc1)c(C)cc1OC)=O

InChI

InChI=1S/C20H27N3O3/c1-13-11-17(25-4)5-6-18(13)20(24)21-16-7-9-23(10-8-16)12-19-14(2)22-26-15(19)3/h5-6,11,16H,7-10,12H2,1-4H3,(H,21,24)

InChI Key

YHWHLMRGRZIXSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

-3.15

Polar Surface Area

57.499

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

10.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S259-4146 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S259-4146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4146?
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What is the minimum amount of S259-4146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4146
  • 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 S259-4146 available by request