4478-7126 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]butanamide

4478-7126 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]butanamide
4478-7126 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7126
N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]butanamide

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

4478-7126

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]butanamide

IUPAC name

N-[4-(23-dihydro-1H-indole-1-sulfonyl)phenyl]butanamide

SMILES

CCCC(Nc(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C18H20N2O3S/c1-2-5-18(21)19-15-8-10-16(11-9-15)24(22,23)20-13-12-14-6-3-4-7-17(14)20/h3-4,6-11H,2,5,12-13H2,1H3,(H,19,21)

InChI Key

NYYQDUKDZNZFAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.59

Polar Surface Area

54.906

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4478-7126 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4478-7126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7126?
Check Price and Availability of 4478-7126, 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 4478-7126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7126
  • 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 4478-7126 available by request