8011-2144 Screening compound: 5-bromo-1-[2-methoxy-4-(methylsulfanyl)benzoyl]-2,3-dihydro-1H-indole

8011-2144 Screening compound: 5-bromo-1-[2-methoxy-4-(methylsulfanyl)benzoyl]-2,3-dihydro-1H-indole
8011-2144 Screening compound: 5-bromo-1-[2-methoxy-4-(methylsulfanyl)benzoyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2144
5-bromo-1-[2-methoxy-4-(methylsulfanyl)benzoyl]-2,3-dihydro-1H-indole

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

8011-2144

Molecular Formula

C17H16BrNO2S (C17 H16 BrNO2 S)

Compound Name

5-bromo-1-[2-methoxy-4-(methylsulfanyl)benzoyl]-2,3-dihydro-1H-indole

IUPAC name

5-bromo-1-[2-methoxy-4-(methylsulfanyl)benzoyl]-23-dihydro-1H-indole

SMILES

COc(cc(cc1)SC)c1C(N(CC1)c(cc2)c1cc2Br)=O

InChI

InChI=1S/C17H16BrNO2S/c1-21-16-10-13(22-2)4-5-14(16)17(20)19-8-7-11-9-12(18)3-6-15(11)19/h3-6,9-10H,7-8H2,1-2H3

InChI Key

UOGVZJWWCAWQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02103133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.36

Polar Surface Area

23.548

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8011-2144 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-2144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2144?
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What is the minimum amount of 8011-2144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2144
  • 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 8011-2144 available by request