8013-6586 Screening compound: N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-3,4-dimethoxybenzene-1-sulfonamide

8013-6586 Screening compound: N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-3,4-dimethoxybenzene-1-sulfonamide
8013-6586 Screening compound: N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-3,4-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6586
N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-3,4-dimethoxybenzene-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

8013-6586

Molecular Formula

C20H21ClF2N2O5S (C20 H21 ClF2 N2 O5 S)

Compound Name

N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-3,4-dimethoxybenzene-1-sulfonamide

IUPAC name

N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-34-dimethoxybenzene-1-sulfonamide

SMILES

Cc1c(CCNS(c(cc2)cc(OC)c2OC)(=O)=O)c(cc(cc2)OC(F)(F)Cl)c2[nH]1

InChI

InChI=1S/C20H21ClF2N2O5S/c1-12-15(16-10-13(30-20(21,22)23)4-6-17(16)25-12)8-9-24-31(26,27)14-5-7-18(28-2)19(11-14)29-3/h4-7,10-11,24-25H,8-9H2,1-3H3

InChI Key

NMLJPDLYXOAWJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.53

Polar Surface Area

73.522

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8013-6586 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-6586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6586?
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What is the minimum amount of 8013-6586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6586
  • 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 8013-6586 available by request