S259-4246 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-(4-fluorophenyl)acetamide

S259-4246 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-(4-fluorophenyl)acetamide
S259-4246 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4246
N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-(4-fluorophenyl)acetamide

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

S259-4246

Molecular Formula

C18H22FN3O2 (C18 H22 FN3 O2)

Compound Name

N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-(4-fluorophenyl)acetamide

IUPAC name

N-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]pyrrolidin-3-yl}-2-(4-fluorophenyl)acetamide

SMILES

Cc1noc(C)c1CN(CC1)CC1NC(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C18H22FN3O2/c1-12-17(13(2)24-21-12)11-22-8-7-16(10-22)20-18(23)9-14-3-5-15(19)6-4-14/h3-6,16H,7-11H2,1-2H3,(H,20,23)/t16-/m0/s1

InChI Key

QKLBBOSHAPMOGT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29018014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.656

Distribution Coefficient, logD

-1.457

Water Solubility, LogSw

-2.20

Polar Surface Area

50.042

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

10.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S259-4246 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with S259-4246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4246?
Check Price and Availability of S259-4246, 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 S259-4246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4246
  • 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 S259-4246 available by request