SA93-0546 Screening compound: 1-(isoquinoline-1-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxamide

SA93-0546 Screening compound: 1-(isoquinoline-1-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxamide
SA93-0546 Screening compound: 1-(isoquinoline-1-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA93-0546
1-(isoquinoline-1-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxamide

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

SA93-0546

Molecular Formula

C19H23N3O3 (C19 H23 N3 O3)

Compound Name

1-(isoquinoline-1-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxamide

IUPAC name

1-(isoquinoline-1-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxamide

SMILES

COCCC(CCC1)(CN1C(c1nccc2ccccc12)=O)C(N)=O

InChI

InChI=1S/C19H23N3O3/c1-25-12-9-19(18(20)24)8-4-11-22(13-19)17(23)16-15-6-3-2-5-14(15)7-10-21-16/h2-3,5-7,10H,4,8-9,11-13H2,1H3,(H2,20,24)/t19-/m1/s1

InChI Key

IJJPQVSKBJEJJV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32244928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.901

Distribution Coefficient, logD

0.901

Water Solubility, LogSw

-1.93

Polar Surface Area

68.768

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SA93-0546 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SA93-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA93-0546?
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What is the minimum amount of SA93-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA93-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA93-0546
  • 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 SA93-0546 available by request