Y041-3992 Screening compound: 2-chloro-4-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Y041-3992 Screening compound: 2-chloro-4-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Y041-3992 Screening compound: 2-chloro-4-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3992
2-chloro-4-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

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

Y041-3992

Molecular Formula

C19H18ClN3O3S (C19 H18 ClN3 O3 S)

Compound Name

2-chloro-4-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

IUPAC name

2-chloro-4-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

SMILES

NS(c1ccc(CCNC(c(ccc(-n2cccc2)c2)c2Cl)=O)cc1)(=O)=O

InChI

InChI=1S/C19H18ClN3O3S/c20-18-13-15(23-11-1-2-12-23)5-8-17(18)19(24)22-10-9-14-3-6-16(7-4-14)27(21,25)26/h1-8,11-13H,9-10H2,(H,22,24)(H2,21,25,26)

InChI Key

JRSPRTRZXXMRQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27641362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.89

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

2.649

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-3.82

Polar Surface Area

79.082

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y041-3992 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 Y041-3992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3992?
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What is the minimum amount of Y041-3992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3992
  • 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 Y041-3992 available by request