8016-7674 Screening compound: N~1~-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-isopropyl-2-methoxy-1-benzenesulfonamide

8016-7674 Screening compound: N~1~-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-isopropyl-2-methoxy-1-benzenesulfonamide
8016-7674 Screening compound: N~1~-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-isopropyl-2-methoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7674
N~1~-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-isopropyl-2-methoxy-1-benzenesulfonamide

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

8016-7674

Molecular Formula

C22H28N2O3S (C22 H28 N2 O3 S)

Compound Name

N~1~-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-isopropyl-2-methoxy-1-benzenesulfonamide

IUPAC name

N-[2-(25-dimethyl-1H-indol-3-yl)ethyl]-2-methoxy-5-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(cc1)cc(S(NCCc2c(C)[nH]c3c2cc(C)cc3)(=O)=O)c1OC

InChI

InChI=1S/C22H28N2O3S/c1-14(2)17-7-9-21(27-5)22(13-17)28(25,26)23-11-10-18-16(4)24-20-8-6-15(3)12-19(18)20/h6-9,12-14,23-24H,10-11H2,1-5H3

InChI Key

PFGQXJAIGGLJTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.53

Polar Surface Area

59.395

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8016-7674 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7674?
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What is the minimum amount of 8016-7674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7674
  • 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 8016-7674 available by request