5408-4037 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]acetohydrazide

5408-4037 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]acetohydrazide
5408-4037 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-4037
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]acetohydrazide

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

5408-4037

Molecular Formula

C19H19N5O2S (C19 H19 N5 O2 S)

Compound Name

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]acetohydrazide

IUPAC name

2-[(46-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]acetohydrazide

SMILES

Cc1nc(SCC(N/N=C/c2cccn2-c(cc2)ccc2O)=O)nc(C)c1

InChI

InChI=1S/C19H19N5O2S/c1-13-10-14(2)22-19(21-13)27-12-18(26)23-20-11-16-4-3-9-24(16)15-5-7-17(25)8-6-15/h3-11,25H,12H2,1-2H3,(H,23,26)

InChI Key

HUCQFCSSPIPZHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04024690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.05

Polar Surface Area

72.393

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5408-4037 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5408-4037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-4037?
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What is the minimum amount of 5408-4037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-4037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-4037
  • 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 5408-4037 available by request