C183-0051 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C183-0051 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
C183-0051 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C183-0051
3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(3,4-dimethoxyphenyl)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

C183-0051

Molecular Formula

C24H29BrN2O6S (C24 H29 BrN2 O6 S)

Compound Name

3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

IUPAC name

3-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

CCC(N(CCc1c2)c1cc(S(CCC(NCCc(cc1)cc(OC)c1OC)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C24H29BrN2O6S/c1-4-24(29)27-11-8-17-14-18(25)22(15-19(17)27)34(30,31)12-9-23(28)26-10-7-16-5-6-20(32-2)21(13-16)33-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,26,28)

InChI Key

SGGNOOOYFFWYDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.221

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-2.88

Polar Surface Area

84.000

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

C183-0051 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 C183-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C183-0051?
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What is the minimum amount of C183-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C183-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C183-0051
  • 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 C183-0051 available by request