C137-0113 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(3-acetylphenyl)propanamide

C137-0113 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(3-acetylphenyl)propanamide
C137-0113 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(3-acetylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-0113
3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(3-acetylphenyl)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

C137-0113

Molecular Formula

C21H21BrN2O5S (C21 H21 BrN2 O5 S)

Compound Name

3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(3-acetylphenyl)propanamide

IUPAC name

3-[(1-acetyl-5-bromo-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(3-acetylphenyl)propanamide

SMILES

CC(c1cccc(NC(CCS(c(cc(c(CC2)c3)N2C(C)=O)c3Br)(=O)=O)=O)c1)=O

InChI

InChI=1S/C21H21BrN2O5S/c1-13(25)15-4-3-5-17(10-15)23-21(27)7-9-30(28,29)20-12-19-16(11-18(20)22)6-8-24(19)14(2)26/h3-5,10-12H,6-9H2,1-2H3,(H,23,27)

InChI Key

JYRDJBPOIAJTBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.336

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.93

Polar Surface Area

82.397

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

C137-0113 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 C137-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-0113?
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What is the minimum amount of C137-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-0113
  • 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 C137-0113 available by request