Y041-0798 Screening compound: 2-(2-methyl-1H-indol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

Y041-0798 Screening compound: 2-(2-methyl-1H-indol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Y041-0798 Screening compound: 2-(2-methyl-1H-indol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0798
2-(2-methyl-1H-indol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

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

Y041-0798

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

2-(2-methyl-1H-indol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

IUPAC name

2-(2-methyl-1H-indol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

Cc1cc(cccc2)c2n1CC(NCCc(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C19H21N3O3S/c1-14-12-16-4-2-3-5-18(16)22(14)13-19(23)21-11-10-15-6-8-17(9-7-15)26(20,24)25/h2-9,12H,10-11,13H2,1H3,(H,21,23)(H2,20,24,25)

InChI Key

OUTPRQPBUXYUFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09306607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.498

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-2.61

Polar Surface Area

76.579

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

Y041-0798 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0798?
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What is the minimum amount of Y041-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0798
  • 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 Y041-0798 available by request