C361-1832 Screening compound: ethyl 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate

C361-1832 Screening compound: ethyl 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate
C361-1832 Screening compound: ethyl 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1832
ethyl 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate

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

C361-1832

Molecular Formula

C22H24N2O6S (C22 H24 N2 O6 S)

Compound Name

ethyl 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate

IUPAC name

ethyl 4-{3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O)=O)=O

InChI

InChI=1S/C22H24N2O6S/c1-3-30-22(27)16-4-6-18(7-5-16)23-21(26)11-13-31(28,29)19-8-9-20-17(14-19)10-12-24(20)15(2)25/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)

InChI Key

NOSLBADBQWAEFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.90

Polar Surface Area

89.324

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C361-1832 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C361-1832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1832?
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What is the minimum amount of C361-1832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1832
  • 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 C361-1832 available by request