G404-0731 Screening compound: 2-({1-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]PIPERIDIN-3-YL}METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE

G404-0731 Screening compound: 2-({1-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]PIPERIDIN-3-YL}METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
G404-0731 Screening compound: 2-({1-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]PIPERIDIN-3-YL}METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound G404-0731
2-({1-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]PIPERIDIN-3-YL}METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE

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

G404-0731

Molecular Formula

C19H26N4O2S (C19 H26 N4 O2 S)

Compound Name

2-({1-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]PIPERIDIN-3-YL}METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE

IUPAC name

2-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-3-yl}methyl)-1234-tetrahydroisoquinoline

SMILES

Cn1cnc(S(N2CC(CN(CC3)Cc4c3cccc4)CCC2)(=O)=O)c1

InChI

InChI=1S/C19H26N4O2S/c1-21-14-19(20-15-21)26(24,25)23-9-4-5-16(12-23)11-22-10-8-17-6-2-3-7-18(17)13-22/h2-3,6-7,14-16H,4-5,8-13H2,1H3/t16-/m1/s1

InChI Key

MWKZGQUNZQLXGG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15009638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-2.32

Polar Surface Area

47.689

Acid Dissociation Constant (pKa)

25.40

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

G404-0731 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G404-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G404-0731?
Check Price and Availability of G404-0731, 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 G404-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G404-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G404-0731
  • 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 G404-0731 available by request