G856-4580 Screening compound: 2-methyl-1-[4-(thiophen-2-yl)oxane-4-carbonyl]-2,3-dihydro-1H-indole

G856-4580 Screening compound: 2-methyl-1-[4-(thiophen-2-yl)oxane-4-carbonyl]-2,3-dihydro-1H-indole
G856-4580 Screening compound: 2-methyl-1-[4-(thiophen-2-yl)oxane-4-carbonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4580
2-methyl-1-[4-(thiophen-2-yl)oxane-4-carbonyl]-2,3-dihydro-1H-indole

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

G856-4580

Molecular Formula

C19H21NO2S (C19 H21 NO2 S)

Compound Name

2-methyl-1-[4-(thiophen-2-yl)oxane-4-carbonyl]-2,3-dihydro-1H-indole

IUPAC name

2-methyl-1-[4-(thiophen-2-yl)oxane-4-carbonyl]-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2(CCOCC2)c2cccs2)=O)c2c1cccc2

InChI

InChI=1S/C19H21NO2S/c1-14-13-15-5-2-3-6-16(15)20(14)18(21)19(8-10-22-11-9-19)17-7-4-12-23-17/h2-7,12,14H,8-11,13H2,1H3/t14-/m0/s1

InChI Key

JVLUJEPGQMODJA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06709683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-3.93

Polar Surface Area

23.704

Acid Dissociation Constant (pKa)

26.38

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

G856-4580 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G856-4580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4580?
Check Price and Availability of G856-4580, 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 G856-4580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4580
  • 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 G856-4580 available by request