8013-2164 Screening compound: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-fluorobenzene-1-sulfonamide

8013-2164 Screening compound: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-fluorobenzene-1-sulfonamide
8013-2164 Screening compound: N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2164
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-fluorobenzene-1-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

8013-2164

Molecular Formula

C17H16BrFN2O2S (C17 H16 BrFN2 O2 S)

Compound Name

N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-fluorobenzene-1-sulfonamide

IUPAC name

N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-fluorobenzene-1-sulfonamide

SMILES

Cc1c(CCNS(c(cc2)ccc2F)(=O)=O)c(cc(cc2)Br)c2[nH]1

InChI

InChI=1S/C17H16BrFN2O2S/c1-11-15(16-10-12(18)2-7-17(16)21-11)8-9-20-24(22,23)14-5-3-13(19)4-6-14/h2-7,10,20-21H,8-9H2,1H3

InChI Key

OBCRBOZCCBEZFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-4.31

Polar Surface Area

51.764

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8013-2164 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-2164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2164?
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What is the minimum amount of 8013-2164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2164
  • 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 8013-2164 available by request