S259-4320 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}acetamide

S259-4320 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}acetamide
S259-4320 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4320
2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}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

S259-4320

Molecular Formula

C17H24N4O3 (C17 H24 N4 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1noc(C)c1CC(NC1CN(Cc2c(C)onc2C)CC1)=O

InChI

InChI=1S/C17H24N4O3/c1-10-15(12(3)23-19-10)7-17(22)18-14-5-6-21(8-14)9-16-11(2)20-24-13(16)4/h14H,5-9H2,1-4H3,(H,18,22)/t14-/m0/s1

InChI Key

JQGNNCONTSWKBH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28996185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.881

Distribution Coefficient, logD

-2.231

Water Solubility, LogSw

-1.18

Polar Surface Area

72.080

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

10.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

S259-4320 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S259-4320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4320?
Check Price and Availability of S259-4320, 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 S259-4320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4320
  • 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 S259-4320 available by request