S259-0469 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methylbenzoyl)piperazine

S259-0469 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methylbenzoyl)piperazine
S259-0469 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methylbenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-0469
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methylbenzoyl)piperazine

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

S259-0469

Molecular Formula

C18H22FN3O2 (C18 H22 FN3 O2)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methylbenzoyl)piperazine

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-(3-fluoro-4-methylbenzoyl)piperazine

SMILES

Cc1noc(C)c1CN(CC1)CCN1C(c1cc(F)c(C)cc1)=O

InChI

InChI=1S/C18H22FN3O2/c1-12-4-5-15(10-17(12)19)18(23)22-8-6-21(7-9-22)11-16-13(2)20-24-14(16)3/h4-5,10H,6-9,11H2,1-3H3

InChI Key

RJHKDGWYXWMQBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.128

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.56

Polar Surface Area

42.465

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

S259-0469 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S259-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-0469?
Check Price and Availability of S259-0469, 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 S259-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-0469
  • 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 S259-0469 available by request