C183-0317 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]propanamide

C183-0317 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]propanamide
C183-0317 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C183-0317
3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]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

C183-0317

Molecular Formula

C23H25BrN2O6S (C23 H25 BrN2 O6 S)

Compound Name

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

IUPAC name

3-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]propanamide

SMILES

CCC(N(CCc1c2)c1cc(S(CCC(NCC1Oc(cccc3)c3OC1)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C23H25BrN2O6S/c1-2-23(28)26-9-7-15-11-17(24)21(12-18(15)26)33(29,30)10-8-22(27)25-13-16-14-31-19-5-3-4-6-20(19)32-16/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,25,27)/t16-/m0/s1

InChI Key

MSKIXLRUEAMPBW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14724311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.20

Polar Surface Area

84.577

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

C183-0317 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 C183-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C183-0317?
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What is the minimum amount of C183-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C183-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C183-0317
  • 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 C183-0317 available by request