S259-0437 Screening compound: 1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)propan-1-one

S259-0437 Screening compound: 1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)propan-1-one
S259-0437 Screening compound: 1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-0437
1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)propan-1-one

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

S259-0437

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)propan-1-one

IUPAC name

1-{4-[(35-dimethyl-12-oxazol-4-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenyl)propan-1-one

SMILES

Cc1noc(C)c1CN(CC1)CCN1C(CCc(cc1)ccc1OC)=O

InChI

InChI=1S/C20H27N3O3/c1-15-19(16(2)26-21-15)14-22-10-12-23(13-11-22)20(24)9-6-17-4-7-18(25-3)8-5-17/h4-5,7-8H,6,9-14H2,1-3H3

InChI Key

OETHZWSBNUXBQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-2.35

Polar Surface Area

49.482

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S259-0437 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S259-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-0437?
Check Price and Availability of S259-0437, 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 S259-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-0437
  • 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 S259-0437 available by request