S056-0378 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}propanamide

S056-0378 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}propanamide
S056-0378 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0378
3-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}propanamide

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

S056-0378

Molecular Formula

C19H26N4O3 (C19 H26 N4 O3)

Compound Name

3-(3,5-dimethyl-4-isoxazolyl)-N~1~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}propanamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1CCC(NC1CN(Cc(cc2)cnc2OC)CC1)=O

InChI

InChI=1S/C19H26N4O3/c1-13-17(14(2)26-22-13)5-6-18(24)21-16-8-9-23(12-16)11-15-4-7-19(25-3)20-10-15/h4,7,10,16H,5-6,8-9,11-12H2,1-3H3,(H,21,24)/t16-/m0/s1

InChI Key

AQJQJMWZUVNQDU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29030838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.209

Distribution Coefficient, logD

0.538

Water Solubility, LogSw

-2.04

Polar Surface Area

66.623

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

S056-0378 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S056-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0378?
Check Price and Availability of S056-0378, 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 S056-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0378
  • 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 S056-0378 available by request