C183-0020 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-ethylpropanamide

C183-0020 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-ethylpropanamide
C183-0020 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-ethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C183-0020
N-(2H-1,3-benzodioxol-5-yl)-3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-ethylpropanamide

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

C183-0020

Molecular Formula

C23H25BrN2O6S (C23 H25 BrN2 O6 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-ethylpropanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-ethylpropanamide

SMILES

CCC(N(CCc1c2)c1cc(S(CCC(N(CC)c(cc1)cc3c1OCO3)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C23H25BrN2O6S/c1-3-22(27)26-9-7-15-11-17(24)21(13-18(15)26)33(29,30)10-8-23(28)25(4-2)16-5-6-19-20(12-16)32-14-31-19/h5-6,11-13H,3-4,7-10,14H2,1-2H3

InChI Key

HEEPZUXGTDQWCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.791

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-3.91

Polar Surface Area

76.633

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C183-0020 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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 C183-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C183-0020?
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What is the minimum amount of C183-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C183-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C183-0020
  • 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 C183-0020 available by request