C300-0171 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C300-0171 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
C300-0171 Screening compound: 3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0171
3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

C300-0171

Molecular Formula

C23H23BrN2O6S (C23 H23 BrN2 O6 S)

Compound Name

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

IUPAC name

3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(23-dihydro-14-benzodioxin-6-yl)propanamide

SMILES

O=C(CCS(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H23BrN2O6S/c24-17-11-15-5-7-26(23(28)14-1-2-14)18(15)13-21(17)33(29,30)10-6-22(27)25-16-3-4-19-20(12-16)32-9-8-31-19/h3-4,11-14H,1-2,5-10H2,(H,25,27)

InChI Key

BOTCLVXKDOCKMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-3.12

Polar Surface Area

84.178

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C300-0171 in Drug Discovery

Included in Screening Libraries

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 C300-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0171?
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What is the minimum amount of C300-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0171
  • 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 C300-0171 available by request