C137-1331 Screening compound: 5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

C137-1331 Screening compound: 5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide
C137-1331 Screening compound: 5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1331
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

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

C137-1331

Molecular Formula

C21H25BrN2O5S (C21 H25 BrN2 O5 S)

Compound Name

5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

5-bromo-N-[2-(34-dimethoxyphenyl)ethyl]-1-propanoyl-23-dihydro-1H-indole-6-sulfonamide

SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-4-21(25)24-10-8-15-12-16(22)20(13-17(15)24)30(26,27)23-9-7-14-5-6-18(28-2)19(11-14)29-3/h5-6,11-13,23H,4,7-10H2,1-3H3

InChI Key

QRPYFBXDHMYWQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-3.60

Polar Surface Area

72.522

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C137-1331 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 C137-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1331?
Check Price and Availability of C137-1331, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C137-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1331
  • 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 C137-1331 available by request