C361-1969 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

C361-1969 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
C361-1969 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1969
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

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

C361-1969

Molecular Formula

C25H32N2O6S (C25 H32 N2 O6 S)

Compound Name

3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

IUPAC name

3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-[2-(34-diethoxyphenyl)ethyl]propanamide

SMILES

CCOc(ccc(CCNC(CCS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C25H32N2O6S/c1-4-32-23-9-6-19(16-24(23)33-5-2)10-13-26-25(29)12-15-34(30,31)21-7-8-22-20(17-21)11-14-27(22)18(3)28/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,26,29)

InChI Key

NSPCUOGSLPYJMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.132

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-2.45

Polar Surface Area

84.155

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C361-1969 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C361-1969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1969?
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What is the minimum amount of C361-1969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1969
  • 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 C361-1969 available by request