8017-3681 Screening compound: N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

8017-3681 Screening compound: N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide
8017-3681 Screening compound: N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3681
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-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

8017-3681

Molecular Formula

C23H30N2O3S (C23 H30 N2 O3 S)

Compound Name

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-[2-(25-dimethyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

SMILES

CCOc(cc1)c(C(C)C)cc1S(NCCc1c(C)[nH]c2c1cc(C)cc2)(=O)=O

InChI

InChI=1S/C23H30N2O3S/c1-6-28-23-10-8-18(14-20(23)15(2)3)29(26,27)24-12-11-19-17(5)25-22-9-7-16(4)13-21(19)22/h7-10,13-15,24-25H,6,11-12H2,1-5H3

InChI Key

PFNXEIUHMSKSTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.746

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-5.59

Polar Surface Area

58.974

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8017-3681 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-3681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3681?
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What is the minimum amount of 8017-3681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3681
  • 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 8017-3681 available by request