8016-8523 Screening compound: N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

8016-8523 Screening compound: N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide
8016-8523 Screening compound: N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8523
N-[2-(7-chloro-2-methyl-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

8016-8523

Molecular Formula

C22H27ClN2O3S (C22 H27 ClN2 O3 S)

Compound Name

N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

SMILES

CCOc(cc1)c(C(C)C)cc1S(NCCc(c1ccc2)c(C)[nH]c1c2Cl)(=O)=O

InChI

InChI=1S/C22H27ClN2O3S/c1-5-28-21-10-9-16(13-19(21)14(2)3)29(26,27)24-12-11-17-15(4)25-22-18(17)7-6-8-20(22)23/h6-10,13-14,24-25H,5,11-12H2,1-4H3

InChI Key

OMILOEZOIPRCLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.99

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

5.802

Distribution Coefficient, logD

5.802

Water Solubility, LogSw

-6.14

Polar Surface Area

59.745

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8016-8523 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8016-8523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8523?
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What is the minimum amount of 8016-8523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8523
  • 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 8016-8523 available by request