C450-1000 Screening compound: 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

C450-1000 Screening compound: 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
C450-1000 Screening compound: 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-1000
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-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

C450-1000

Molecular Formula

C25H33N3O6S (C25 H33 N3 O6 S)

Compound Name

3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

IUPAC name

3-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-[2-(34-diethoxyphenyl)ethyl]propanamide

SMILES

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

InChI

InChI=1S/C25H33N3O6S/c1-4-33-23-9-6-19(16-24(23)34-5-2)10-13-26-25(30)11-14-27-35(31,32)21-7-8-22-20(17-21)12-15-28(22)18(3)29/h6-9,16-17,27H,4-5,10-15H2,1-3H3,(H,26,30)

InChI Key

AJJFWUFJZBDXSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.358

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-2.57

Polar Surface Area

96.990

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C450-1000 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C450-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-1000?
Check Price and Availability of C450-1000, 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 C450-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-1000
  • 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 C450-1000 available by request