F059-0676 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide

F059-0676 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide
F059-0676 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F059-0676
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-2-oxo-3-(propan-2-ylidene)-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

F059-0676

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-2-oxo-3-(propan-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-2-oxo-3-(propan-2-ylidene)-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCOc(ccc(CNS(c(cc1)cc(C2=C(C)C)c1N(C)C2=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C22H26N2O5S/c1-6-29-19-10-7-15(11-20(19)28-5)13-23-30(26,27)16-8-9-18-17(12-16)21(14(2)3)22(25)24(18)4/h7-12,23H,6,13H2,1-5H3

InChI Key

ZWVVCKLGMOYLLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.58

Polar Surface Area

72.343

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F059-0676 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F059-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F059-0676?
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What is the minimum amount of F059-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F059-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F059-0676
  • 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 F059-0676 available by request