F325-0139 Screening compound: N-butyl-N-methyl-1-[4-oxo-4-(pyrrolidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide

F325-0139 Screening compound: N-butyl-N-methyl-1-[4-oxo-4-(pyrrolidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide
F325-0139 Screening compound: N-butyl-N-methyl-1-[4-oxo-4-(pyrrolidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F325-0139
N-butyl-N-methyl-1-[4-oxo-4-(pyrrolidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide

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

F325-0139

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

N-butyl-N-methyl-1-[4-oxo-4-(pyrrolidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-butyl-N-methyl-1-[4-oxo-4-(pyrrolidin-1-yl)butanoyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCCCN(C)S(c(cc1)cc(CC2)c1N2C(CCC(N1CCCC1)=O)=O)(=O)=O

InChI

InChI=1S/C21H31N3O4S/c1-3-4-12-22(2)29(27,28)18-7-8-19-17(16-18)11-15-24(19)21(26)10-9-20(25)23-13-5-6-14-23/h7-8,16H,3-6,9-15H2,1-2H3

InChI Key

ZDBYZGUKSNGJNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27116547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-3.09

Polar Surface Area

64.962

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

F325-0139 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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 F325-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F325-0139?
Check Price and Availability of F325-0139, 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 F325-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F325-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F325-0139
  • 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 F325-0139 available by request