S259-4249 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-quinolinecarboxamide

S259-4249 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-quinolinecarboxamide
S259-4249 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4249
N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-quinolinecarboxamide

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

S259-4249

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1CN(CC1)CC1NC(c1nc2ccccc2cc1)=O

InChI

InChI=1S/C20H22N4O2/c1-13-17(14(2)26-23-13)12-24-10-9-16(11-24)21-20(25)19-8-7-15-5-3-4-6-18(15)22-19/h3-8,16H,9-12H2,1-2H3,(H,21,25)/t16-/m0/s1

InChI Key

BMUQGZOLMFPHMN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28996077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

-0.205

Water Solubility, LogSw

-2.92

Polar Surface Area

58.586

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S259-4249 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)

Anti-HIV1 Library (19540 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S259-4249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4249?
Check Price and Availability of S259-4249, 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 S259-4249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4249
  • 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 S259-4249 available by request