8016-8526 Screening compound: N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-6-sulfonamide

8016-8526 Screening compound: N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-6-sulfonamide
8016-8526 Screening compound: N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8526
N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-6-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

8016-8526

Molecular Formula

C21H17F3N2O5S (C21 H17 F3 N2 O5 S)

Compound Name

N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-6-sulfonamide

IUPAC name

N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-6-sulfonamide

SMILES

Cc1c(CCNS(c(cc2)cc(C=C3)c2OC3=O)(=O)=O)c(cc(cc2)OC(F)(F)F)c2[nH]1

InChI

InChI=1S/C21H17F3N2O5S/c1-12-16(17-11-14(31-21(22,23)24)3-5-18(17)26-12)8-9-25-32(28,29)15-4-6-19-13(10-15)2-7-20(27)30-19/h2-7,10-11,25-26H,8-9H2,1H3

InChI Key

MAGFFJOBDMWMDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.46

Polar Surface Area

78.108

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8016-8526 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8016-8526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8526?
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What is the minimum amount of 8016-8526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8526
  • 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 8016-8526 available by request