4132-0004 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

4132-0004 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
4132-0004 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4132-0004
2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)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

4132-0004

Molecular Formula

C19H18N4O5S2 (C19 H18 N4 O5 S2)

Compound Name

2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

IUPAC name

2-[(5-benzyl-46-dioxo-1456-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

SMILES

NS(c(cc1)ccc1NC(CSC(NC(C1Cc2ccccc2)=O)=NC1=O)=O)(=O)=O

InChI

InChI=1S/C19H18N4O5S2/c20-30(27,28)14-8-6-13(7-9-14)21-16(24)11-29-19-22-17(25)15(18(26)23-19)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,21,24)(H2,20,27,28)(H,22,23,25,26)

InChI Key

ZKJKFYYHSRLIBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02578421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.692

Distribution Coefficient, logD

-5.708

Water Solubility, LogSw

-2.10

Polar Surface Area

121.775

Acid Dissociation Constant (pKa)

1.00

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

4132-0004 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 4132-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4132-0004?
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What is the minimum amount of 4132-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4132-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4132-0004
  • 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 4132-0004 available by request